Sugi Predict

Sugi Predict / Compounds / SCHEMBL651787

SCHEMBL651787

SCHEMBL651787

CCCc1cc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2)nn1Cc1cnc(-c2ccccc2S(=O)(=O)NC(C)=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.38
▸ MMEL1 Q495T6 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MME P08473 5/20 0.33
▸ AGTR2 P50052 1/20 0.32
▸ CASP3 P42574 1/20 0.32

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
SCHEMBL994379 1.00 CTSA (0.38) CTSAMMEL1ALOX5APFEN1MME
SCHEMBL652644 0.91 MME (0.35) MMEAGTR2CASP3
SCHEMBL652645 0.91 MME (0.35) MMEAGTR2CASP3
SCHEMBL654129 0.91 CTSA (0.38) CTSAMMEL1MMEAGTR2
SCHEMBL654130 0.91 CTSA (0.38) CTSAMMEL1MMEAGTR2
SCHEMBL652713 0.88 MME (0.32) ALOX5APFEN1MMEAGTR2
SCHEMBL656184 0.86 AGTR2 (0.42) MMEL1MMEAGTR2
SCHEMBL656183 0.86 AGTR2 (0.42) MMEL1MMEAGTR2
SCHEMBL652709 0.84 MME (0.36) MMEAGTR2
SCHEMBL655297 0.83 MME (0.38) MMEAGTR2

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
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
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 (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 CTSA 842/4885MMEL1 635/4885ALOX5AP 3085/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CTSA 842/4885MMEL1 635/4885ALOX5AP 3085/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSA 949/4885MMEL1 695/4885ALOX5AP 2927/4885

“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.