SCHEMBL5112564

SCHEMBL5112564

CC(C)c1nc(C=CC(=O)O)c(Cc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.49
▸ PTGFR P43088 1/20 0.49
▸ PTGER3 P43115 1/20 0.49
▸ PTGER2 P43116 1/20 0.49
▸ PTGIR P43119 1/20 0.49
▸ PTGDR Q13258 1/20 0.49
▸ COPS5 Q92905 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ ITGB2 P05107 2/20 0.36
▸ ICAM1 P05362 2/20 0.36
▸ ITGAL P20701 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ GRM4 Q14833 1/20 0.35

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
SCHEMBL5112558 1.00 TBXA2R (0.49) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5111999 0.74 MAPT (0.45) COPS5ALDH1A1LMNAGAAMAPT
SCHEMBL5113575 0.72 SMN1; SMN2 (0.37) COPS5SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL5121201 0.71 CYP3A4 (0.39) COPS5SMN1; SMN2HTTPPARGGAA
SCHEMBL5430304 0.70 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5430305 0.70 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL3204985 0.68 PPARG (0.64) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL3204975 0.68 PPARG (0.64) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL1046738 0.65 CYP1A2 (0.54) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL1046739 0.65 CYP1A2 (0.54) TBXA2RPTGFRPTGER3PTGER2PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 — — US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 — — 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 (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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 TBXA2R 886/4885PTGFR 2457/4885PTGER3 1565/4885

“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.

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