SCHEMBL2430828

SCHEMBL2430828

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4cnccn4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
JAK1 P23458 1/20 0.41
RAB9A P51151 8/20 0.40
NPC1 O15118 6/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
P2RY14 Q15391 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2430826 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AJAK1RAB9ANPC1
SCHEMBL2434442 0.92 RAB9A (0.44) SMN1; SMN2KMT2AJAK1RAB9ANPC1
SCHEMBL2434440 0.92 RAB9A (0.44) SMN1; SMN2KMT2AJAK1RAB9ANPC1
SCHEMBL2430451 0.91 KMT2A (0.43) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL12329094 0.91 KMT2A (0.43) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2429358 0.91 KMT2A (0.43) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2430852 0.90 GRM4 (0.44) SMN1; SMN2JAK1RAB9ANPC1ALDH1A1
SCHEMBL2430579 0.90 GRM4 (0.44) SMN1; SMN2JAK1RAB9ANPC1ALDH1A1
SCHEMBL2429941 0.90 GRM4 (0.40)
SCHEMBL2429934 0.90 GRM4 (0.40)

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 8 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
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 SMN1; SMN2 1772/4885KMT2A 2967/4885JAK1 1069/4885

“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.