SCHEMBL2431367

SCHEMBL2431367

Cn1cnc(C(=O)Nc2ccc(-c3cc(N(CC4CC4)C(=O)[C@H]4CC[C@H](C)CC4)c(C(=O)O)s3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.37
ACKR3 P25106 1/20 0.36
CYP2E1 P05181 1/20 0.36
KAT8 Q9H7Z6 1/20 0.35
CDK9 P50750 1/20 0.35
S1PR3 Q99500 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL2431370 1.00 S1PR1 (0.37) S1PR1ACKR3CYP2E1KAT8CDK9
SCHEMBL2430873 0.93 ACKR3 (0.38) ACKR3CYP2E1KAT8CDK9SMYD3
SCHEMBL2430867 0.93 ACKR3 (0.38) ACKR3CYP2E1KAT8CDK9SMYD3
SCHEMBL2429967 0.93 S1PR1 (0.36) S1PR1ACKR3KAT8CDK9SMYD3
SCHEMBL2429970 0.93 S1PR1 (0.36) S1PR1ACKR3KAT8CDK9SMYD3
SCHEMBL2432544 0.90 ALDH1A1 (0.38) S1PR1ACKR3CYP2E1KAT8CDK9
SCHEMBL2432537 0.90 ALDH1A1 (0.38) S1PR1ACKR3CYP2E1KAT8CDK9
SCHEMBL2431360 0.87 NPC1 (0.39) S1PR1CYP2E1P2RX3
SCHEMBL2431361 0.87 NPC1 (0.39) S1PR1CYP2E1P2RX3
SCHEMBL2429926 0.87 GRM4 (0.41)

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
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
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 S1PR1 2888/4885ACKR3 3377/4885CYP2E1 118/4885

“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.