SCHEMBL840648

SCHEMBL840648

CCCC(=O)N(CCC(=O)NC[C@@H](S)Cc1cccc(Cl)c1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)[C@H](C)O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RORC P51449 1/20 0.32
SLC2A1 P11166 1/20 0.32
FOLH1 Q04609 5/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL840647 1.00 AGTR1 (0.36) AGTR1AGTR2LIMK1LIMK2KMT2A
SCHEMBL840246 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL840245 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL840354 0.92 AGTR2 (0.42) AGTR1AGTR2LIMK1LIMK2SLC2A1
SCHEMBL840355 0.92 AGTR2 (0.42) AGTR1AGTR2LIMK1LIMK2SLC2A1
SCHEMBL840422 0.92 AGTR1 (0.36) AGTR1AGTR2LIMK1LIMK2KMT2A
SCHEMBL840423 0.92 AGTR1 (0.36) AGTR1AGTR2LIMK1LIMK2KMT2A
SCHEMBL841109 0.88 AGTR1 (0.38) AGTR1AGTR2KMT2AMEN1RORC
SCHEMBL841110 0.88 AGTR1 (0.38) AGTR1AGTR2KMT2AMEN1RORC
SCHEMBL840649 0.88 AGTR1 (0.38) AGTR1AGTR2LIMK1LIMK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 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-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885LIMK1 2926/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR1 2/4885AGTR2 3/4885LIMK1 3912/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885LIMK1 2926/4885

“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.