SCHEMBL2429967

SCHEMBL2429967

COC(=O)c1sc(-c2ccc(NC(=O)c3cn(C)cn3)cc2)cc1N(CC1CC1)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.36
MAPT P10636 5/20 0.36
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
KAT8 Q9H7Z6 1/20 0.34
CDK9 P50750 1/20 0.34
TP53 P04637 2/20 0.34
P2RX3 P56373 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL2429970 1.00 S1PR1 (0.36) S1PR1MAPTACKR3KDM4EHTT
SCHEMBL2434436 0.93 MAPT (0.39) MAPTACKR3KDM4EHTTATM
SCHEMBL2434434 0.93 MAPT (0.39) MAPTACKR3KDM4EHTTATM
SCHEMBL2431367 0.93 S1PR1 (0.37) S1PR1ACKR3KAT8CDK9P2RX3
SCHEMBL2431370 0.93 S1PR1 (0.37) S1PR1ACKR3KAT8CDK9P2RX3
SCHEMBL2436046 0.92 ALDH1A1 (0.38) S1PR1MAPTACKR3KDM4EHTT
SCHEMBL2436051 0.92 ALDH1A1 (0.38) S1PR1MAPTACKR3KDM4EHTT
SCHEMBL2433860 0.87 RAB9A (0.40) S1PR1MAPTKDM4EHTTATM
SCHEMBL2433922 0.87 RAB9A (0.40) S1PR1MAPTKDM4EHTTATM
SCHEMBL2436040 0.87 PTPN1 (0.45) MAPTKDM4EHTTATMTP53

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 6 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
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

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 S1PR1 2888/4885MAPT 3802/4885ACKR3 3377/4885

“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.