SCHEMBL17833480

SCHEMBL17833480

CCSC(SCCC(=O)N(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.89
ABCC1 P33527 4/20 0.89
ABCC2 Q92887 3/20 0.89
MEN1 O00255 1/20 0.89
ABCC3 O15438 1/20 0.89
ABCC4 O15439 1/20 0.89
ABCC5 O15440 1/20 0.89
SLCO2B1 O94956 1/20 0.89
ABCB11 O95342 1/20 0.89
KMT2A Q03164 1/20 0.89
SLCO1B3 Q9NPD5 1/20 0.89
ABCG2 Q9UNQ0 1/20 0.89
SLCO1B1 Q9Y6L6 1/20 0.89
CYSLTR2 Q9NS75 3/20 0.87

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
Verlukast SCHEMBL2729252 0.94 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL37247 0.94 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Mk-571 SCHEMBL30509651 0.94 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Mk-571 SCHEMBL9231584 0.94 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL37246 0.94 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL156454 0.93 CYSLTR1 (0.98) CYSLTR1ABCC1ABCC2MEN1ABCC3
Mk-571 SCHEMBL156452 0.93 CYSLTR1 (0.98) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL26976748 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL31237455 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3
Verlukast SCHEMBL156453 0.92 CYSLTR1 (1.00) CYSLTR1ABCC1ABCC2MEN1ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 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 (1 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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 CYSLTR1 12/4885ABCC1 501/4885ABCC2 626/4885

“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.