SCHEMBL9178402

SCHEMBL9178402

CCCc1c(SCCCOc2ccc(C(C)O)c(OCCCC(=O)O)c2CCC)ccc(C(C)=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.64
CYSLTR1 Q9Y271 16/20 0.64
PPARG P37231 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL18590691 0.93 CYSLTR2 (0.57) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9176648 0.91 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARGPPARDPPARA
Tipelukast SCHEMBL154898 0.90 CYSLTR2 (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
Tipelukast SCHEMBL29359070 0.90 CYSLTR2 (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL18609722 0.90 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9342993 0.88 CYSLTR2 (0.69) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL12281318 0.86 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL17300445 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL17247293 0.85 CYSLTR2 (0.66) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL17771267 0.85 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARDPPARA

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
EP-3139911-B1 METHOD OF TREATING ADVANCED NON-ALCOHOLIC STEATOHEPATITIS MEDICINOVA INC (US) 2023-10-25 EP disclosed
US-8026282-B2 Phenoxyalkylcarboxylic acid derivatives in the treatment of irritable bowel syndrome MEDICINOVA, INC. (US) 2011-09-27 US disclosed
US-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME MEDICINOVA, INC. 2010-11-11 US disclosed
US-7786169-B2 Phenoxyalkycarboxylic acid derivatives in the treatment of ulcerative colitis MEDICINOVA, INC. (US) 2010-08-31 US disclosed
US-20090093545-A1 PHENOXYALKYCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME OR ULCERATIVE COLITIS MEDICINOVA, INC. 2009-04-09 US disclosed
US-7429617-B2 Phenoxyalkycarboxylic acid derivatives in the treatment of interstitial cystitis MEDICINOVA, INC. (US) 2008-09-30 US disclosed
EP-0495485-B1 Phenoxyalkylcarboxylic acid derivatives, process of preparing the same and anti-allergic agents KYORIN SEIYAKU KK (JP) 1995-04-12 EP disclosed
US-5290812-A Leukotriene antagonist as antiallergens and treatment asthma KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-03-01 US disclosed
EP-0495485-A2 Phenoxyalkylcarboxylic acid derivatives, process of preparing the same and anti-allergic agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP 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-20100285074-A1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, HCAR2 CYSLTR2 78/4885CYSLTR1 157/4885PPARG 1367/4885
US-20090093545-A1 PHENOXYALKYCARBOXYLIC ACID DERIVATIVES IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME OR ULCERATIVE COLITIS SI, HCAR2, SUCNR1 CYSLTR2 209/4885CYSLTR1 282/4885PPARG 291/4885

“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.