SCHEMBL2432741

SCHEMBL2432741

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4ccccn4)nc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM4 Q14833 1/20 0.35
TSHR P16473 1/20 0.35
PIK3CG P48736 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
SCHEMBL2432736 1.00 RAB9A (0.42) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2435744 0.92 RAB9A (0.41) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2435749 0.92 RAB9A (0.41) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2429358 0.91 KMT2A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL12329094 0.91 KMT2A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2430451 0.91 KMT2A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2430852 0.90 GRM4 (0.44) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2430579 0.90 GRM4 (0.44) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2428231 0.90 CDK9 (0.33) RAB9ANPC1ALDH1A1TP53PKM
SCHEMBL2431844 0.90 CDK9 (0.33) RAB9ANPC1ALDH1A1TP53PKM

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 9 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
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 RAB9A 2071/4885NPC1 1898/4885ALDH1A1 860/4885

“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.