SCHEMBL2430852

SCHEMBL2430852

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4ccccn4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.44
JAK1 P23458 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDR P35968 3/20 0.39
MAPT P10636 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MAPK1 P28482 1/20 0.39
DGAT1 O75907 1/20 0.39
PTPN1 P18031 1/20 0.38
HPGD P15428 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
SCHEMBL2430579 1.00 GRM4 (0.44) GRM4JAK1NPC1RAB9APKM
SCHEMBL13630802 0.93 GRM4 (0.44) GRM4JAK1NPC1RAB9APKM
SCHEMBL2432673 0.92 PTPN1 (0.46) GRM4JAK1NPC1RAB9APKM
SCHEMBL2432670 0.92 PTPN1 (0.46) GRM4JAK1NPC1RAB9APKM
SCHEMBL2432741 0.90 RAB9A (0.42) GRM4NPC1RAB9APKMTP53
SCHEMBL2432736 0.90 RAB9A (0.42) GRM4NPC1RAB9APKMTP53
SCHEMBL2430828 0.90 SMN1; SMN2 (0.42) JAK1NPC1RAB9ATP53ALDH1A1
SCHEMBL2432684 0.90 KMT2A (0.39) GRM4JAK1DGAT1
SCHEMBL2430826 0.90 SMN1; SMN2 (0.42) JAK1NPC1RAB9ATP53ALDH1A1
SCHEMBL2432681 0.90 KMT2A (0.39) GRM4JAK1DGAT1

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 7 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-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
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 GRM4 3141/4885JAK1 1069/4885NPC1 1898/4885

“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.