SCHEMBL2434374

SCHEMBL2434374

COC(=O)c1sc(-c2ccc(NC(=O)c3cc(C)on3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL2434377 1.00 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL2431289 0.92 RAB9A (0.41) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL2434510 0.92 RAB9A (0.41) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL2430822 0.87 KDM4E (0.36) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL2435739 0.87 NPC1 (0.38) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2435741 0.87 NPC1 (0.38) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2430818 0.87 KDM4E (0.36) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL2432670 0.87 PTPN1 (0.46) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL2432673 0.87 PTPN1 (0.46) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL2431283 0.86 GRM4 (0.38) HPGDRAB9ANPC1MAPTKDM4E

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 5 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
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 860/4885HPGD 4541/4885HSD17B10 3816/4885

“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.