SCHEMBL4293944

SCHEMBL4293944

CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.71
AGTR1 P30556 3/20 0.71
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
PDE3B Q13370 1/20 0.62
PDE3A Q14432 1/20 0.62

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
SCHEMBL1459519 0.86 GP6 (0.65) AGTR2AGTR1
SCHEMBL9651005 0.85 AGTR2 (0.83) AGTR2AGTR1
SCHEMBL1458408 0.85 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL24360483 0.84 AGTR1 (0.70) AGTR2AGTR1ABCC4ABCB11PDE3B
SCHEMBL8565334 0.83 AGTR1 (0.73) AGTR2AGTR1ABCC4ABCB11PDE3B
SCHEMBL293 0.83 AGTR1 (0.73) AGTR2AGTR1ABCC4ABCB11PDE3B
SCHEMBL8553367 0.83 AGTR2 (0.68) AGTR2AGTR1
SCHEMBL89 0.83 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL29486822 0.83 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL9468476 0.82 AGTR1 (0.98) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
EP-2297113-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-03-23 EP disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 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 (2 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-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885AGTR1 1/4885ABCC4 1438/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885AGTR1 1/4885ABCC4 1438/4885

“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.