SCHEMBL2175220

SCHEMBL2175220

CCCCCOc1ccn(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MCHR1 Q99705 2/20 0.40
GPR119 Q8TDV5 3/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2174711 0.85 MAPK14 (0.52) MAPK14NPC1RAB9AMCHR1
SCHEMBL2176240 0.84 MAPK14 (0.68) MAPK14MCHR1TP53
SCHEMBL2175789 0.82 MAPK14 (0.49) MAPK14NPC1RAB9AMCHR1TSHR
SCHEMBL4476311 0.81 MAPK14 (0.76) MAPK14MCHR1
SCHEMBL12594012 0.80 MAPK14 (0.70) MAPK14MCHR1
SCHEMBL2174934 0.80 MAPK14 (0.52) MAPK14MCHR1TP53
SCHEMBL2179201 0.80 MCHR1 (0.48) MAPK14MCHR1
SCHEMBL2174848 0.76 MCHR1 (0.43) MAPK14NPC1RAB9AMCHR1TSHR
SCHEMBL2177576 0.76 MCHR1 (0.43) MAPK14NPC1RAB9AMCHR1TSHR
SCHEMBL27715960 0.76 MAPK14 (0.43) MAPK14NPC1RAB9ATSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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 (1 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MAPK14 1791/4885NPC1 402/4885RAB9A 2542/4885

“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.