SCHEMBL4880880

SCHEMBL4880880

CCOc1nc2ccc(C(=O)N[C@@H](CS)Cc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.59
AGTR1 P30556 6/20 0.59
PPARA Q07869 1/20 0.51
MME P08473 2/20 0.51

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
SCHEMBL2127548 0.94 PPARG (0.59) PPARGAGTR1PPARAMME
SCHEMBL4884323 0.88 PPARG (0.77) PPARGAGTR1
SCHEMBL4102244 0.82 PPARG (0.77) PPARGAGTR1
SCHEMBL4884270 0.80 PPARG (0.76) PPARGAGTR1
SCHEMBL4884429 0.78 AGTR1 (0.65) PPARGAGTR1
SCHEMBL8088905 0.78 AGTR1 (0.76) AGTR1
SCHEMBL4888423 0.77 AGTR1 (0.65) PPARGAGTR1
SCHEMBL2127989 0.77 PPARG (0.61) PPARGAGTR1
SCHEMBL4888373 0.77 AGTR1 (0.63) PPARGAGTR1
SCHEMBL4884151 0.76 AGTR1 (0.75) AGTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-04-17 US disclosed
US-8637676-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2014-01-28 US disclosed
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 EP disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 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 (2 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-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PPARG 1705/4885AGTR1 1/4885PPARA 2224/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 PPARG 1705/4885AGTR1 1/4885PPARA 2224/4885

“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.