SCHEMBL2435755

SCHEMBL2435755

CC(C)N(c1cc(-c2ccc(NC(=O)c3ccco3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2435757 1.00 NPC1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2432534 0.92 MEN1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2432538 0.92 MEN1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2437073 0.89 NPC1 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2436586 0.89 NPC1 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2435223 0.87 NAMPT (0.37) NPC1RAB9AKDM4EALDH1A1
SCHEMBL2435224 0.87 NAMPT (0.37) NPC1RAB9AKDM4EALDH1A1
SCHEMBL2430917 0.87 KLK7 (0.41) NPC1RAB9AKMT2AHSD17B10MAPT
SCHEMBL2430913 0.87 KLK7 (0.41) NPC1RAB9AKMT2AHSD17B10MAPT
SCHEMBL2430364 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E

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 10 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-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO 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 NPC1 1898/4885RAB9A 2071/4885MEN1 4775/4885

“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.