SCHEMBL1947901

SCHEMBL1947901

Cc1cccc(C(=O)O)c1CC[C@H](Cl)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.54
▸ CYSLTR2 Q9NS75 2/20 0.54
▸ ABCC1 P33527 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ ABCC5 O15440 1/20 0.51
▸ SLCO2B1 O94956 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ABCC2 Q92887 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51

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
SCHEMBL2789885 1.00 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL457834 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL457833 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL3380397 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL3778182 0.91 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL8557325 0.88 CYSLTR1 (0.51) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL8557320 0.88 CYSLTR1 (0.51) CYSLTR1CYSLTR2ABCC1MEN1ABCC3
SCHEMBL5051948 0.87 CYSLTR2 (0.57) CYSLTR1CYSLTR2
SCHEMBL5498774 0.87 CYSLTR2 (0.57) CYSLTR1CYSLTR2
SCHEMBL5051946 0.87 CYSLTR2 (0.57) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US claimed
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US claimed
US-20110137039-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MYLAN LABORATORIES LIMITED (IN) 2011-06-09 — — 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-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts HTR3C, HTR3B, TPMT CYSLTR1 3478/4885CYSLTR2 2907/4885ABCC1 3315/4885
US-20110137039-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MPST, CMA1, LTC4S CYSLTR1 4/4885CYSLTR2 5/4885ABCC1 3089/4885

“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.

Send feedback