SCHEMBL651920

SCHEMBL651920

CCCc1cc(C(=O)N[C@@H](CS)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.48
AGTR1 P30556 4/20 0.43
PPARG P37231 2/20 0.40
ECE1 P42892 1/20 0.40
AGTR2 P50052 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3B P49841 1/20 0.39
PRKX P51817 1/20 0.39
LIMK1 P53667 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKG1 Q13976 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL655018 0.95 MME (0.47) MMEAGTR1AGTR2LTB4R2
SCHEMBL652998 0.91 MME (0.49) MMEAGTR1PPARGECE1AGTR2
SCHEMBL1927466 0.91 MME (0.49) MMEAGTR1PPARGECE1AGTR2
SCHEMBL12532138 0.90 MME (0.44) MMEAGTR1ECE1ROCK2RPS6KA5
SCHEMBL1928982 0.89 PPARG (0.49) MMEAGTR1PPARGAGTR2
SCHEMBL653074 0.89 PPARG (0.49) MMEAGTR1PPARGAGTR2
SCHEMBL651939 0.88 MME (0.48) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL653979 0.87 MME (0.42) MMEAGTR1AGTR2ROCK2RPS6KA5
SCHEMBL652748 0.86 AGTR1 (0.48) MMEAGTR1ECE1AGTR2LTB4R2
SCHEMBL652673 0.80 MME (0.42) MME

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 25 patents — showing the first 20. 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
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-8822522-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-02 US 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-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 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-8350027-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 US disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 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-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 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
WO-2011005674-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-13 WO disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 US disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 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-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885AGTR1 1/4885PPARG 1458/4885
US-20130245041-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 10/4885AGTR1 1/4885PPARG 1458/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 13/4885AGTR1 1/4885PPARG 1146/4885

“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.