SCHEMBL4601506

SCHEMBL4601506

CCOc1ccc(Br)cc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.75
ICAM1 P05362 12/20 0.75
ITGAL P20701 12/20 0.75
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
FPR2 P25090 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ERAP2 Q6P179 1/20 0.56

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
SCHEMBL5154691 1.00 ITGB2 (0.75) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL4601432 0.87 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL15145334 0.86 ITGB2 (0.84) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL15145346 0.84 ITGB2 (0.81) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL15145352 0.80 ITGB2 (0.67) ITGB2ICAM1ITGALMAPTHPGD
SCHEMBL11873894 0.80 ITGB2 (0.73) ITGB2ICAM1ITGALFPR2ERAP2
SCHEMBL21623645 0.80 ITGB2 (0.73) ITGB2ICAM1ITGALFPR2ERAP2
SCHEMBL1358031 0.80 ITGB2 (0.80) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL1358036 0.80 ITGB2 (0.80) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL14557598 0.79 MAPT (0.49) ITGB2ICAM1ITGALPOLBMAPT

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
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 ITGB2 4080/4885ICAM1 4413/4885ITGAL 4079/4885

“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.