SCHEMBL2281919

SCHEMBL2281919

CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCNC(=O)C(S)Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.60
AGTR1 P30556 8/20 0.56
MME P08473 4/20 0.56

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
SCHEMBL2281910 1.00 AGTR2 (0.60) AGTR2AGTR1MME
SCHEMBL2280181 0.96 AGTR2 (0.59) AGTR2AGTR1MME
SCHEMBL2280168 0.96 AGTR2 (0.59) AGTR2AGTR1MME
SCHEMBL1457872 0.93 MME (0.66) AGTR2AGTR1MME
SCHEMBL1458516 0.93 AGTR2 (0.62) AGTR2AGTR1MME
SCHEMBL1458511 0.93 AGTR2 (0.62) AGTR2AGTR1MME
SCHEMBL1459474 0.91 AGTR2 (0.62) AGTR2AGTR1MME
SCHEMBL1459466 0.91 AGTR2 (0.62) AGTR2AGTR1MME
SCHEMBL1457863 0.89 MME (0.64) AGTR2AGTR1MME
SCHEMBL1458455 0.89 MME (0.63) AGTR2AGTR1MME

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
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-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 AGTR2 2/4885AGTR1 1/4885MME 5/4885
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885AGTR1 1/4885MME 5/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR2 2/4885AGTR1 1/4885MME 5/4885

“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.