SCHEMBL805209

SCHEMBL805209

CN[C@H](Cc1csc2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CYP2A6 P11509 2/20 0.50
TAAR1 Q96RJ0 1/20 0.48
TACR1 P25103 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46
F10 P00742 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PKM P14618 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43

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
SCHEMBL16203423 1.00 MMP2 (0.52) MMP2MMP9MMP8CTSLCTSS
SCHEMBL12727418 0.89 MMP2 (0.52) MMP2MMP9MMP8CTSLCTSS
SCHEMBL14048310 0.89 MMP2 (0.52) MMP2MMP9MMP8CTSLCTSS
SCHEMBL20976930 0.89 MMP2 (0.52) MMP2MMP9MMP8CTSLCTSS
SCHEMBL24511005 0.87 MMP2 (0.54) MMP2MMP9MMP8CTSLCTSS
SCHEMBL8336014 0.86 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL22872329 0.86 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL4575645 0.86 TACR1 (0.59) MMP2MMP9MMP8CTSLCTSS
SCHEMBL16750041 0.86 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL20214369 0.86 CYP2A6 (0.50) MMP2MMP9MMP8CTSLCTSS

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-06-08 US disclosed
US-9604994-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-28 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-10-30 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 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 (5 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MMP2 3605/4885MMP9 4369/4885MMP8 2891/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MMP2 3605/4885MMP9 4369/4885MMP8 2891/4885
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C PRKCQ, PRKDC, PRKACA MMP2 3978/4885MMP9 4319/4885MMP8 4119/4885
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKCQ, PRKDC, PRKACA MMP2 3978/4885MMP9 4319/4885MMP8 4119/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN MMP2 4446/4885MMP9 4197/4885MMP8 4181/4885

“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.