SCHEMBL2431366

SCHEMBL2431366

CC1CCC(C(=O)N(CC2CC2)c2cc(-c3ccc(NC(=O)c4cnccn4)cc3)sc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
KMT2A Q03164 2/20 0.41
JAK1 P23458 1/20 0.40
NPC1 O15118 10/20 0.39
RAB9A P51151 10/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
P2RY14 Q15391 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2431362 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AJAK1NPC1RAB9A
SCHEMBL2431406 0.92 RAB9A (0.41) SMN1; SMN2KMT2AJAK1NPC1RAB9A
SCHEMBL2431405 0.92 RAB9A (0.41) SMN1; SMN2KMT2AJAK1NPC1RAB9A
SCHEMBL2429926 0.91 GRM4 (0.41) SMN1; SMN2JAK1NPC1RAB9ATP53
SCHEMBL2429921 0.91 GRM4 (0.41) SMN1; SMN2JAK1NPC1RAB9ATP53
SCHEMBL2430490 0.88 GRM4 (0.36)
SCHEMBL2430491 0.88 GRM4 (0.36)
SCHEMBL2428387 0.86 AHR (0.38) KMT2AJAK1
SCHEMBL2428386 0.86 AHR (0.38) KMT2AJAK1
SCHEMBL2430828 0.86 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AJAK1NPC1RAB9A

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 6 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

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.