SCHEMBL2431444

SCHEMBL2431444

COC(=O)c1sc(-c2ccc(NC(=O)c3ccc(F)cc3)c(Cl)c2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IKBKB O14920 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL2431438 1.00 KDM4E (0.46) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL2428553 0.92 KDM4E (0.40) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL2428551 0.92 KDM4E (0.40) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL2494792 0.88 KDM4E (0.47) KDM4EPOLBHPGDIKBKBMAPT
SCHEMBL2494789 0.88 KDM4E (0.47) KDM4EPOLBHPGDIKBKBMAPT
SCHEMBL2431528 0.85 KDM4E (0.43) KDM4EPOLBHPGDIKBKBRAB9A
SCHEMBL2431526 0.85 KDM4E (0.43) KDM4EPOLBHPGDIKBKBRAB9A
SCHEMBL2436809 0.85 GRM4 (0.39) KDM4EHPGDMAPTRAB9ARXFP1
SCHEMBL2436807 0.85 GRM4 (0.39) KDM4EHPGDMAPTRAB9ARXFP1
SCHEMBL2431492 0.82 MAPT (0.45) KDM4ESMN1; SMN2HPGDALDH1A1IKBKB

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 KDM4E 1120/4885POLB 765/4885SMN1; SMN2 1772/4885

“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.