SCHEMBL3174149

SCHEMBL3174149

CCOC(=O)C=Cc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 2/20 0.48
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
FDPS P14324 1/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAOB P27338 1/20 0.43
ALOX5 P09917 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL3174142 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6853004 0.84 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL7248145 0.82 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3610428 0.82 P4HTM (0.51) CA12CA1CA2CA7CA9
SCHEMBL3610427 0.82 P4HTM (0.51) CA12CA1CA2CA7CA9
SCHEMBL3652506 0.81 NPC1 (0.44) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3652508 0.81 NPC1 (0.44) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL3603828 0.80 CYP11B1 (0.43) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3603831 0.80 CYP11B1 (0.43) NPC1RAB9ACYP11B1CYP11B2DHODH
SCHEMBL3594186 0.80 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 CA12 4288/4885CA1 4179/4885CA2 2026/4885

“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.