SCHEMBL10145220

SCHEMBL10145220

CC(C)NC(=O)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.36
POLB P06746 1/20 0.34
MLYCD O95822 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CD O00329 1/20 0.32
LMNA P02545 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24567506 0.81 TSHR (0.42) SIGMAR1TSHRCA12CA1CA2
SCHEMBL152945 0.80 SIGMAR1 (0.40) SIGMAR1TSHRCA12CA1CA2
SCHEMBL19449450 0.76 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL26201999 0.76 SIGMAR1 (0.38) SIGMAR1TSHRCA12CA1CA2
SCHEMBL18907737 0.76 SIGMAR1 (0.38) SIGMAR1TSHRCA12CA1CA2
SCHEMBL23188091 0.76 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL15235415 0.76 SIGMAR1 (0.38) SIGMAR1TSHRCA12CA1CA2
SCHEMBL943623 0.76 SIGMAR1 (0.38) SIGMAR1TSHRCA12CA1CA2
SCHEMBL20968348 0.76 ACE (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24567516 0.75 MMP1 (0.47) CA12CA1CA2MMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-02-19 US disclosed
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX INC (US) 2014-12-11 US disclosed
US-8846735-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2014-09-30 US disclosed
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX, INC. (US) 2014-03-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SIGMAR1 2522/4885TSHR 4853/4885CA12 4309/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 SIGMAR1 4590/4885TSHR 4063/4885CA12 4739/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 SIGMAR1 4408/4885TSHR 4021/4885CA12 4741/4885
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 SIGMAR1 4791/4885TSHR 4831/4885CA12 302/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI SIGMAR1 2922/4885TSHR 3810/4885CA12 4103/4885
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 SIGMAR1 4791/4885TSHR 4831/4885CA12 302/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI SIGMAR1 2922/4885TSHR 3810/4885CA12 4103/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 SIGMAR1 4791/4885TSHR 4831/4885CA12 302/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 SIGMAR1 953/4885TSHR 587/4885CA12 4844/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SIGMAR1 2522/4885TSHR 4853/4885CA12 4309/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK SIGMAR1 3646/4885TSHR 2540/4885CA12 1547/4885
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC SIGMAR1 3220/4885TSHR 2810/4885CA12 4868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.