SCHEMBL2431844

SCHEMBL2431844

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4cscn4)nc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.33
MAP3K5 Q99683 1/20 0.33
BUB1 O43683 1/20 0.32
PIK3CG P48736 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TP53 P04637 2/20 0.31
PKM P14618 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GCK P35557 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL2428231 1.00 CDK9 (0.33) CDK9MAP3K5BUB1PIK3CGNPC1
SCHEMBL2431858 0.92 KDM4E (0.34) CDK9MAP3K5BUB1NPC1RAB9A
SCHEMBL2431840 0.92 KDM4E (0.34) CDK9MAP3K5BUB1NPC1RAB9A
SCHEMBL2428166 0.91 DGAT1 (0.36)
SCHEMBL2428165 0.91 DGAT1 (0.36)
Ammonia Solution, Strong SCHEMBL2432088 0.90 DGAT1 (0.35)
SCHEMBL2431789 0.90 DGAT1 (0.35)
Ammonia Solution, Strong SCHEMBL2432090 0.90 DGAT1 (0.35)
SCHEMBL2432736 0.90 RAB9A (0.42) PIK3CGNPC1RAB9ATP53PKM
SCHEMBL2432741 0.90 RAB9A (0.42) PIK3CGNPC1RAB9ATP53PKM

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 CDK9 1060/4885MAP3K5 4143/4885BUB1 3182/4885

“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.