SCHEMBL2435978

SCHEMBL2435978

COCCN(c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)OC)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GRM4 Q14833 1/20 0.39
MAPT P10636 5/20 0.37
S1PR1 P21453 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 2/20 0.35
PTPN1 P18031 2/20 0.34
RXFP1 Q9HBX9 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
ROCK2 O75116 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2435984 1.00 ALDH1A1 (0.39) ALDH1A1GRM4MAPTS1PR1KDM4E
SCHEMBL2430862 0.94 ALDH1A1 (0.39) ALDH1A1GRM4MAPTS1PR1KDM4E
SCHEMBL2436782 0.94 ALDH1A1 (0.39) ALDH1A1GRM4MAPTS1PR1KDM4E
SCHEMBL2432576 0.92 MAPT (0.40) ALDH1A1GRM4MAPTKDM4EHTT
SCHEMBL2432565 0.92 MAPT (0.40) ALDH1A1GRM4MAPTKDM4EHTT
SCHEMBL2433539 0.90 GRM4 (0.38) GRM4MAPTKDM4EHTTATM
SCHEMBL2429254 0.90 GRM4 (0.38) GRM4MAPTKDM4EHTTATM
SCHEMBL2429257 0.90 GRM4 (0.38) GRM4MAPTKDM4EHTTATM
SCHEMBL2433533 0.90 GRM4 (0.38) GRM4MAPTKDM4EHTTATM
SCHEMBL2432226 0.87 GRM4 (0.36) GRM4MAPTS1PR1KDM4EHTT

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 ALDH1A1 860/4885GRM4 3141/4885MAPT 3802/4885

“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.