SCHEMBL653079

SCHEMBL653079

CCCc1cc(C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.42
FEN1 P39748 9/20 0.42
PTGER1 P34995 1/20 0.41
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL652830 0.90 PTGER1 (0.39) PTGER1
SCHEMBL651779 0.77 AGTR2 (0.48)
SCHEMBL651075 0.77 AGTR1 (0.41) PTGER1PPARG
SCHEMBL652709 0.76 MME (0.36)
SCHEMBL654130 0.76 CTSA (0.38)
SCHEMBL654129 0.76 CTSA (0.38)
SCHEMBL651098 0.76 MME (0.35)
SCHEMBL652663 0.76 AGTR2 (0.51)
SCHEMBL1928642 0.74 EDNRA (0.39) PTGER1
SCHEMBL655297 0.73 MME (0.38)

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 11 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
EP-2451782-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2012-05-16 EP disclosed
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
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
WO-2011005674-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-13 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 (4 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 ALOX5AP 3085/4885FEN1 4764/4885PTGER1 175/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALOX5AP 3085/4885FEN1 4764/4885PTGER1 175/4885
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALOX5AP 3085/4885FEN1 4764/4885PTGER1 175/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2927/4885FEN1 4731/4885PTGER1 145/4885

“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.