SCHEMBL651016

SCHEMBL651016

CCOc1cc(C(=O)NC(CC(=O)O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.43
CTSA P10619 2/20 0.40
CYP3A4 P08684 1/20 0.40
AGTR1 P30556 11/20 0.39
AGTR2 P50052 11/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MMEL1 Q495T6 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
SCHEMBL651015 1.00 MME (0.43) MMECTSACYP3A4AGTR1AGTR2
SCHEMBL994169 0.93 MME (0.43) MMEAGTR1AGTR2ALOX5APFEN1
SCHEMBL993378 0.89 MME (0.43) MMEAGTR1AGTR2
SCHEMBL1927723 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL661671 0.83 MME (0.42) MME
SCHEMBL654575 0.83 AGTR1 (0.41) MMEAGTR1AGTR2
SCHEMBL655668 0.82 MME (0.43) MMECTSACYP3A4MMEL1
SCHEMBL655667 0.82 MME (0.43) MMECTSACYP3A4MMEL1
SCHEMBL651939 0.80 MME (0.48) MMECTSACYP3A4AGTR1AGTR2
SCHEMBL655665 0.78 MME (0.41) MMEAGTR1AGTR2

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
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP disclosed
US-8822522-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-02 US disclosed
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 US disclosed
US-8350027-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 US disclosed
US-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 US disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 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 (3 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-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885CTSA 842/4885CYP3A4 587/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885CTSA 842/4885CYP3A4 587/4885
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885CTSA 842/4885CYP3A4 587/4885

“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.