SCHEMBL2436043

SCHEMBL2436043

COC(=O)c1sc(-c2ccc(NC(=O)c3ccccn3)cc2)cc1N(CC1CC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
MAPT P10636 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
GRM4 Q14833 7/20 0.40
TP53 P04637 3/20 0.39
JAK1 P23458 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2436040 1.00 PTPN1 (0.45) PTPN1MAPTNPC1RAB9APKM
SCHEMBL2429921 0.92 GRM4 (0.41) PTPN1MAPTNPC1RAB9APKM
SCHEMBL2429926 0.92 GRM4 (0.41) PTPN1MAPTNPC1RAB9APKM
SCHEMBL2431406 0.91 RAB9A (0.41) MAPTNPC1RAB9ASMN1; SMN2GRM4
SCHEMBL2431405 0.91 RAB9A (0.41) MAPTNPC1RAB9ASMN1; SMN2GRM4
SCHEMBL2430784 0.91 KMT2A (0.41) PTPN1MAPTNPC1RAB9AKDM4E
SCHEMBL2430780 0.91 KMT2A (0.41) PTPN1MAPTNPC1RAB9AKDM4E
SCHEMBL3841046 0.88 KDM4E (0.36) MAPTNPC1RAB9AKDM4EHTT
SCHEMBL2432217 0.88 KDM4E (0.36) MAPTNPC1RAB9AKDM4EHTT
SCHEMBL2429970 0.87 S1PR1 (0.36) MAPTNPC1RAB9AKDM4EHTT

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 4 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 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 PTPN1 622/4885MAPT 3802/4885NPC1 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.