SCHEMBL655666

SCHEMBL655666

CCOc1cc(C(=O)NC(Cc2ccccc2)C(O)C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.41
AGTR2 P50052 2/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL655665 1.00 MME (0.41) MMEAGTR2AGTR1
SCHEMBL993378 0.90 MME (0.43) MMEAGTR2AGTR1
SCHEMBL652670 0.88 AGTR2 (0.42) AGTR2AGTR1
SCHEMBL661671 0.88 MME (0.42) MME
SCHEMBL1927707 0.84 AGTR2 (0.43) AGTR2
SCHEMBL654796 0.82 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL650654 0.82 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL656488 0.81 AGTR2 (0.50) AGTR2
SCHEMBL653073 0.81 AGTR2 (0.45) AGTR2AGTR1
SCHEMBL994431 0.81 AGTR2 (0.45) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 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-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 13/4885AGTR2 3/4885AGTR1 1/4885

“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.