SCHEMBL840424

SCHEMBL840424

CCCC(=O)N(CCC(=O)N(CCS)Cc1cccc(Cl)c1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 2/20 0.39
LIMK1 P53667 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
RORC P51449 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
SLC2A1 P11166 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL841750 0.94 AGTR1 (0.41) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840352 0.91 AGTR1 (0.44) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840649 0.91 AGTR1 (0.38) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL841747 0.88 AGTR1 (0.38) AGTR1AGTR2RORCALDH1A1MAPT
SCHEMBL840422 0.86 AGTR1 (0.36) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840423 0.86 AGTR1 (0.36) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840592 0.86 AGTR1 (0.36) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840593 0.86 AGTR1 (0.36) LIMK2LIMK1AGTR1AGTR2RORC
SCHEMBL840247 0.85 AGTR2 (0.40) LIMK2LIMK1AGTR1AGTR2LTB4R2
SCHEMBL840019 0.85 AGTR1 (0.40) LIMK2LIMK1AGTR1AGTR2LTB4R2

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
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 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 (5 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LIMK2 3384/4885LIMK1 2926/4885AGTR1 1/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LIMK2 3384/4885LIMK1 2926/4885AGTR1 1/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LIMK2 3384/4885LIMK1 2926/4885AGTR1 1/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 LIMK2 3804/4885LIMK1 3912/4885AGTR1 2/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LIMK2 3384/4885LIMK1 2926/4885AGTR1 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.