SCHEMBL2430841

SCHEMBL2430841

CC1CCC(C(=O)N(CC2CC2)c2cc(-c3ccc(NC(=O)c4cc[nH]n4)cc3)sc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.34
S1PR1 P21453 3/20 0.33
PTPN1 P18031 3/20 0.32
PTPRA P18433 1/20 0.32
P2RX3 P56373 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
PTPRF P10586 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL2430839 1.00 CYP2E1 (0.34) CYP2E1S1PR1PTPN1PTPRAP2RX3
SCHEMBL2432217 0.93 KDM4E (0.36) S1PR1KDM4EHTTATM
SCHEMBL3841046 0.93 KDM4E (0.36) S1PR1KDM4EHTTATM
SCHEMBL2431146 0.92 EZH2 (0.35) CYP2E1PTPN1PTPRAKDM4EHTT
SCHEMBL2431148 0.92 EZH2 (0.35) CYP2E1PTPN1PTPRAKDM4EHTT
SCHEMBL13630801 0.88 S1PR1 (0.33) S1PR1
SCHEMBL2429921 0.87 GRM4 (0.41) PTPN1KDM4E
SCHEMBL2429926 0.87 GRM4 (0.41) PTPN1KDM4E
SCHEMBL2430490 0.86 GRM4 (0.36) CYP2E1S1PR1
SCHEMBL2430491 0.86 GRM4 (0.36) CYP2E1S1PR1

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 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

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 CYP2E1 118/4885S1PR1 2888/4885PTPN1 622/4885

“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.