SCHEMBL2432537

SCHEMBL2432537

COCCN(c1cc(-c2ccc(NC(=O)c3cn(C)cn3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 1/20 0.36
ACKR3 P25106 1/20 0.36
CYP2E1 P05181 1/20 0.35
CDK9 P50750 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
EPHX2 P34913 1/20 0.33
MAP3K7 O43318 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2432544 1.00 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CYP2E1CDK9
SCHEMBL2436051 0.94 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2436046 0.94 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2430867 0.92 ACKR3 (0.38) ACKR3CYP2E1CDK9SMYD3EPHX2
SCHEMBL2430873 0.92 ACKR3 (0.38) ACKR3CYP2E1CDK9SMYD3EPHX2
SCHEMBL2431367 0.90 S1PR1 (0.37) S1PR1ACKR3CYP2E1CDK9SMYD3
SCHEMBL2431370 0.90 S1PR1 (0.37) S1PR1ACKR3CYP2E1CDK9SMYD3
SCHEMBL13630804 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2430622 0.88 ACKR3 (0.34) S1PR1ACKR3SMYD3MAP3K7PRMT5
SCHEMBL2432185 0.88 ACKR3 (0.34) S1PR1ACKR3SMYD3MAP3K7PRMT5

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 8 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

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 ALDH1A1 860/4885S1PR1 2888/4885ACKR3 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.