SCHEMBL8098623

SCHEMBL8098623

CC(=O)SC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
APP P05067 4/20 0.58
CYP3A4 P08684 5/20 0.54
PPARA Q07869 4/20 0.54
PPARG P37231 3/20 0.54
ACE P12821 1/20 0.53
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
PPARD Q03181 2/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL26999155 1.00 ATM (0.64) ATMAPPCYP3A4PPARAPPARG
SCHEMBL28406320 0.89 ATM (0.62) ATMAPPCYP3A4PPARAPPARG
SCHEMBL23168417 0.89 ATM (0.62) ATMAPPCYP3A4PPARAPPARG
SCHEMBL7279574 0.88 ATM (0.68) ATMAPPCYP3A4PPARAPPARG
SCHEMBL6453827 0.88 CTSK (0.54) ATMAPPCYP3A4PPARAPPARG
SCHEMBL7321063 0.85 ATM (0.64) ATMAPPCYP3A4PPARAPPARG
SCHEMBL3682549 0.84 ATM (0.70) ATMAPPCYP3A4PPARAPPARG
SCHEMBL3682545 0.84 ATM (0.70) ATMAPPCYP3A4PPARAPPARG
SCHEMBL29471918 0.84 ATM (0.70) ATMAPPCYP3A4PPARAPPARG
SCHEMBL15159951 0.84 ATM (0.73) ATMAPPCYP3A4PPARAPPARG

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 8 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
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
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 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 (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 ATM 4379/4885APP 2915/4885CYP3A4 642/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 ATM 4379/4885APP 2915/4885CYP3A4 642/4885

“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.