SCHEMBL2433376

SCHEMBL2433376

COC(=O)c1sc(-c2ccc(NC(=O)c3cc(C)n(C)n3)cc2)cc1N(CC1CC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
MET P08581 1/20 0.37
MERTK Q12866 1/20 0.37
ROCK1 Q13464 1/20 0.37
KDR P35968 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 2/20 0.33
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
P2RX3 P56373 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
BACE1 P56817 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
SCHEMBL2433375 1.00 AXL (0.40) AXLMETMERTKROCK1KDR
SCHEMBL2431720 0.93 AXL (0.38) AXLMETMERTKROCK1KDR
SCHEMBL2431715 0.93 AXL (0.38) AXLMETMERTKROCK1KDR
SCHEMBL2433922 0.89 RAB9A (0.40) ROCK1KDM4EHTTATMMAPT
SCHEMBL2433860 0.89 RAB9A (0.40) ROCK1KDM4EHTTATMMAPT
SCHEMBL2429970 0.87 S1PR1 (0.36) KDM4EHTTATMMAPTTP53
SCHEMBL2429967 0.87 S1PR1 (0.36) KDM4EHTTATMMAPTTP53
SCHEMBL2436040 0.86 PTPN1 (0.45) KDM4EHTTATMMAPTTP53
SCHEMBL2432217 0.86 KDM4E (0.36) KDM4EHTTATMMAPTKMT2A
SCHEMBL3841046 0.86 KDM4E (0.36) KDM4EHTTATMMAPTKMT2A

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 4 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 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

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 2709/4885MET 1266/4885MERTK 2704/4885

“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.