SCHEMBL2431715

SCHEMBL2431715

Cc1cc(C(=O)Nc2ccc(-c3cc(N(CC4CC4)C(=O)[C@H]4CC[C@H](C)CC4)c(C(=O)O)s3)cc2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.38
ROCK1 Q13464 1/20 0.38
MET P08581 1/20 0.35
MERTK Q12866 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
CYP2E1 P05181 1/20 0.34
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
NR2E1 Q9Y466 1/20 0.34
S1PR1 P21453 1/20 0.34
BACE1 P56817 1/20 0.34
PKM P14618 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL2431720 1.00 AXL (0.38) AXLROCK1METMERTKKDR
SCHEMBL2433375 0.93 AXL (0.40) AXLROCK1METMERTKKDR
SCHEMBL2433376 0.93 AXL (0.40) AXLROCK1METMERTKKDR
SCHEMBL2431360 0.89 NPC1 (0.39) ROCK1KDM4ERAB9AKMT2ANPC1
SCHEMBL2431361 0.89 NPC1 (0.39) ROCK1KDM4ERAB9AKMT2ANPC1
SCHEMBL2431367 0.86 S1PR1 (0.37) CYP2E1S1PR1P2RX3
SCHEMBL2431370 0.86 S1PR1 (0.37) CYP2E1S1PR1P2RX3
SCHEMBL2429269 0.86 ROCK1 (0.39) AXLROCK1METMERTKKDR
SCHEMBL2429273 0.86 ROCK1 (0.39) AXLROCK1METMERTKKDR
SCHEMBL2429921 0.85 GRM4 (0.41) KDRKDM4ERAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 AXL 2709/4885ROCK1 4480/4885MET 1266/4885

“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.