SCHEMBL2429358

SCHEMBL2429358

CC(C)N(c1cc(-c2ccc(NC(=O)c3cnccn3)nc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ANO1 Q5XXA6 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.37
P2RY14 Q15391 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
RORC P51449 1/20 0.34
PORCN Q9H237 1/20 0.34

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
SCHEMBL12329094 1.00 KMT2A (0.43) KMT2ASMN1; SMN2ANO1MAPTCYP2C19
SCHEMBL2430451 1.00 KMT2A (0.43) KMT2ASMN1; SMN2ANO1MAPTCYP2C19
SCHEMBL4341753 0.92 KMT2A (0.42) KMT2ASMN1; SMN2MAPTCYP2C19NPC1
SCHEMBL4341749 0.92 KMT2A (0.42) KMT2ASMN1; SMN2MAPTCYP2C19NPC1
SCHEMBL2430826 0.91 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2P2RY14NPC1RAB9A
SCHEMBL2432741 0.91 RAB9A (0.42) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2432736 0.91 RAB9A (0.42) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2430828 0.91 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2P2RY14NPC1RAB9A
SCHEMBL2428231 0.89 CDK9 (0.33) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2431844 0.89 CDK9 (0.33) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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 12 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
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
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 KMT2A 2967/4885SMN1; SMN2 1772/4885ANO1 4666/4885

“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.