SCHEMBL2431573

SCHEMBL2431573

CC(C)N(c1cc(-c2ccc(NC(=O)c3cocn3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.35
F2R P25116 1/20 0.34
BACE1 P56817 1/20 0.32
CYP2E1 P05181 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
SCHEMBL2431575 1.00 DGAT1 (0.35) DGAT1F2RBACE1CYP2E1
SCHEMBL2430822 0.92 KDM4E (0.36) DGAT1F2R
SCHEMBL2430818 0.92 KDM4E (0.36) DGAT1F2R
SCHEMBL2430579 0.87 GRM4 (0.44) DGAT1
SCHEMBL2430852 0.87 GRM4 (0.44) DGAT1
SCHEMBL2431344 0.87 SMYD3 (0.36) DGAT1
SCHEMBL2431346 0.87 SMYD3 (0.36) DGAT1
SCHEMBL2434383 0.86 NPC1 (0.43) DGAT1
SCHEMBL2432215 0.86 NPC1 (0.43) DGAT1
SCHEMBL2434510 0.86 RAB9A (0.41)

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
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US 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 DGAT1 4164/4885F2R 1857/4885BACE1 4575/4885

“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.