SCHEMBL2122233

SCHEMBL2122233

COC(C)C(=O)NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
ACACB O00763 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MLYCD O95822 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL18885420 1.00 CA12 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL24848507 1.00 CA12 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL24568202 0.80 ACACB (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL16804884 0.77 TSHR (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL25447605 0.77 ACACB (0.34) ACACB
SCHEMBL364115 0.76
SCHEMBL12311378 0.76
SCHEMBL28942073 0.76
SCHEMBL12311377 0.76
SCHEMBL12449198 0.75 TSHR (0.46) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164057-A1 DI-CYCLOPROPYL BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-08-31 WO disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-8871894-B2 Production method of polyhydroxyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-28 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
US-20110171164-A1 POLYMER CONJUGATES OF GLP-2-LIKE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 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 (10 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 CA12 4309/4885CA1 4745/4885CA2 4564/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R CA12 4484/4885CA1 4812/4885CA2 4351/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 3624/4885CA1 2293/4885CA2 4469/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4770/4885CA1 4842/4885CA2 4665/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CA12 4761/4885CA1 4833/4885CA2 4689/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885CA1 4745/4885CA2 4564/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4689/4885CA1 4839/4885CA2 4498/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885CA1 4745/4885CA2 4564/4885
US-20120094232-A1 PRODUCTION METHOD OF POLYHYDROXYIMIDE GRHPR, MRPL21, F12 CA12 861/4885CA1 610/4885CA2 1178/4885
US-20110171164-A1 POLYMER CONJUGATES OF GLP-2-LIKE PEPTIDES IAPP, GLP1R, GIPR CA12 569/4885CA1 2083/4885CA2 1780/4885

“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.