SCHEMBL4602963

SCHEMBL4602963

CCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.43
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
SNCA P37840 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CCKBR P32239 1/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 2/20 0.39
SCN9A Q15858 2/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL4603045 0.94 ITGB2 (0.40) PTPN11PPARGITGB2ICAM1ITGAL
SCHEMBL14557960 0.94 PPARG (0.42) PPARGITGB2ICAM1ITGALSNCA
SCHEMBL14557932 0.94 SCN9A (0.41) PTPN11ITGB2ICAM1ITGALSNCA
SCHEMBL14557752 0.93 PPARG (0.41) PPARGITGB2ICAM1ITGALSNCA
SCHEMBL14557964 0.93 HTR2A (0.40) PPARGITGB2ICAM1ITGALTRPV1
SCHEMBL14557962 0.92 ITGB2 (0.45) PPARGITGB2ICAM1ITGALSNCA
SCHEMBL14610637 0.92 ICMT (0.41) PPARGITGB2ICAM1ITGALCCKBR
SCHEMBL14557751 0.91 PPARG (0.41) PPARGITGB2ICAM1ITGALSNCA
SCHEMBL14557691 0.91 HTR2A (0.40) PPARGITGB2ICAM1ITGALCCKBR
SCHEMBL14557948 0.91 CCKBR (0.40) PPARGITGB2ICAM1ITGALSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R PTPN11 3529/4885PPARG 2181/4885PPARD 2894/4885

“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.