SCHEMBL4402992

SCHEMBL4402992

CCOC(=O)CP(C)(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 4/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TP53 P04637 1/20 0.36
SOAT1 P35610 1/20 0.36
PPARD Q03181 2/20 0.35

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
SCHEMBL3939771 0.84 GAA (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12405369 0.83 POLB (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27943774 0.81 ACHE (0.36) TSHR
SCHEMBL17515598 0.81 TSHR (0.45) GAAALDH1A1TSHRTDP1CYP3A4
SCHEMBL18759661 0.80 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16047 0.80 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1331297 0.80 TSHR (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11765179 0.79 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11025207 0.79 CYP1A2 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31218556 0.79 TSHR (0.43) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-20230202973-A1 BARNESIN A, DERIVATIVES AND USES THEREOF LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. (HKI) (DE) 2023-06-29 US disclosed
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 US disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 US disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
US-10011555-B2 Methods of treating Parkinson's disease UNIVERSITY OF MACAU (CN) 2018-07-03 US disclosed
US-9957228-B2 Process of production of 7,8-dihydro-C15-aldehyde DSM IP ASSETS B.V. (NL) 2018-05-01 US disclosed
US-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090023903-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROALKYL-PHENYL AND HETEROCYCLIC SULFONAMIDES WYETH (US) 2009-01-22 US disclosed
US-7442833-B2 Triphenylethylene compounds as selective estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
US-20070111971-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2007-05-17 US 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 (18 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-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MGAM 2149/4885GAA 344/4885SI 2032/4885
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR MGAM 2727/4885GAA 1010/4885SI 239/4885
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 MGAM 2489/4885GAA 168/4885SI 409/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 MGAM 997/4885GAA 1487/4885SI 818/4885
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 MGAM 4500/4885GAA 1057/4885SI 1443/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 MGAM 3465/4885GAA 4502/4885SI 1717/4885
US-20230202973-A1 BARNESIN A, DERIVATIVES AND USES THEREOF SERPINB1, SERPINA3, CMA1 MGAM 1664/4885GAA 495/4885SI 273/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 MGAM 1503/4885GAA 1121/4885SI 3271/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 MGAM 1189/4885GAA 319/4885SI 2/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 MGAM 4286/4885GAA 1262/4885SI 3628/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP MGAM 2041/4885GAA 69/4885SI 346/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MGAM 2648/4885GAA 3659/4885SI 2277/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK MGAM 2931/4885GAA 1728/4885SI 1570/4885
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 MGAM 3982/4885GAA 3445/4885SI 3740/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A MGAM 1006/4885GAA 1902/4885SI 273/4885
US-20070111971-A1 Novel compounds GPER1, ESR2, ESR1 MGAM 4490/4885GAA 2208/4885SI 2942/4885
US-10011555-B2 Methods of treating Parkinson's disease PARK7, SNCA, NLN MGAM 1571/4885GAA 77/4885SI 1245/4885
US-20090023903-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROALKYL-PHENYL AND HETEROCYCLIC SULFONAMIDES SULT2A1, SULT1A1, SULT1E1 MGAM 2356/4885GAA 3111/4885SI 1724/4885

“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.