SCHEMBL2276369

SCHEMBL2276369

CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.61
AGTR2 P50052 5/20 0.58
AGTR1 P30556 5/20 0.53
EDNRA P25101 1/20 0.53

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
SCHEMBL7608287 0.88 GP6 (0.59) GP6AGTR2AGTR1EDNRA
SCHEMBL1459519 0.87 GP6 (0.65) GP6AGTR2AGTR1
SCHEMBL1457880 0.87 GP6 (0.65) GP6AGTR2AGTR1EDNRA
SCHEMBL7611018 0.87 GP6 (0.58) GP6AGTR2AGTR1EDNRA
SCHEMBL10476021 0.87 AGTR2 (0.65) GP6AGTR2AGTR1
SCHEMBL2279624 0.86 AGTR1 (0.52) GP6AGTR2AGTR1
SCHEMBL8556377 0.85 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL9480885 0.85 AGTR2 (0.80) AGTR2AGTR1EDNRA
SCHEMBL8550440 0.85 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL8553199 0.85 AGTR2 (0.62) AGTR2

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 15 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-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-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
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US 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
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 (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-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN GP6 1936/4885AGTR2 2/4885AGTR1 1/4885
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN GP6 1936/4885AGTR2 2/4885AGTR1 1/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN GP6 1936/4885AGTR2 2/4885AGTR1 1/4885

“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.