SCHEMBL652998

SCHEMBL652998

CCCc1cc(C(=O)N[C@@H](CS)CC(C)C)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.49
AGTR1 P30556 13/20 0.49
ECE1 P42892 1/20 0.46
AGTR2 P50052 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.40
PPARG P37231 2/20 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
SCHEMBL1927466 1.00 MME (0.49) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL652748 0.95 AGTR1 (0.48) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL651920 0.91 MME (0.48) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL655018 0.86 MME (0.47) MMEAGTR1AGTR2LTB4R2
SCHEMBL651065 0.86 AGTR1 (0.39) MMEAGTR1ECE1AGTR2
SCHEMBL12532138 0.81 MME (0.44) MMEAGTR1ECE1
SCHEMBL2392191 0.80 AGTR1 (0.48) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL1928982 0.79 PPARG (0.49) MMEAGTR1AGTR2PPARG
SCHEMBL653074 0.79 PPARG (0.49) MMEAGTR1AGTR2PPARG
SCHEMBL1258883 0.79 AGTR1 (0.51) MMEAGTR1ECE1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822522-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-02 US claimed
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 US claimed
EP-2451782-B1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-11-09 EP 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-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

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 MME 10/4885AGTR1 1/4885ECE1 15/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885AGTR1 1/4885ECE1 15/4885
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885AGTR1 1/4885ECE1 15/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 13/4885AGTR1 1/4885ECE1 21/4885

“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.