SCHEMBL4256185

SCHEMBL4256185

COc1ccc(-c2cnc(-c3cccc(C(=O)NNC(=O)OC(C)(C)C)c3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
CYP3A4 P08684 2/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CYP2C9 P11712 1/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
KAT6A Q92794 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL13949666 0.82 SMN1; SMN2 (0.55) MAPK1HSD17B1HSD17B2CYP3A4CSNK2A2
Hydrochloric Acid SCHEMBL4262809 0.81 SMN1; SMN2 (0.54) MAPK1HSD17B1HSD17B2CYP3A4CSNK2A2
SCHEMBL4256137 0.81 MMP2 (0.52) HSD17B1HSD17B2CYP3A4CSNK2A2CSNK2A1
SCHEMBL4261815 0.80 PTPN1 (0.47) MAPK1HSD17B1HSD17B2MMP2MMP9
SCHEMBL4257417 0.79 CSNK2A2 (0.57) HSD17B1HSD17B2CYP3A4CSNK2A2CSNK2A1
SCHEMBL4264131 0.79 PLAU (0.52) MAPK1CYP3A4CSNK2A2CSNK2A1MMP2
SCHEMBL13754826 0.74 HDAC8 (0.54) KAT6ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL1180851 0.74 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9MMP2
SCHEMBL23801462 0.74 MAPT (0.69) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL1180183 0.73 HSD17B1 (0.51) HSD17B1HSD17B2CYP3A4CYP2C9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (2 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 MAPK1 2862/4885HSD17B1 357/4885HSD17B2 312/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MAPK1 1098/4885HSD17B1 74/4885HSD17B2 75/4885

“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.