SCHEMBL4602489

SCHEMBL4602489

Cc1cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3ccccc3n2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
ITGB2 P05107 6/20 0.49
ICAM1 P05362 6/20 0.49
ITGAL P20701 6/20 0.49
TACR3 P29371 6/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TACR2 P21452 2/20 0.44

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
SCHEMBL4602408 0.92 TP53 (0.55) TP53TACR3MAPTALDH1A1HPGD
SCHEMBL4601284 0.90 TACR3 (0.53) ITGB2ICAM1ITGALTACR3MAPT
SCHEMBL4601467 0.86 KDM4E (0.57) TP53MAPTALDH1A1HPGDPOLB
SCHEMBL4600729 0.86 TACR3 (0.49) ITGB2ICAM1ITGALTACR3MAPT
SCHEMBL5154442 0.86 TACR3 (0.57) TP53ITGB2ICAM1ITGALTACR3
SCHEMBL4602563 0.86 KDM4E (0.57) TP53MAPTALDH1A1HPGDPOLB
SCHEMBL14557563 0.84 KDM4E (0.56) TP53ITGB2ICAM1ITGALTACR3
SCHEMBL4601942 0.84 ITGB2 (0.50) TP53ITGB2ICAM1ITGALTACR3
SCHEMBL4601818 0.83 MAPT (0.54) TACR3MAPTALDH1A1HPGDPOLB
SCHEMBL5151537 0.83 MEN1 (0.54) TP53ITGB2ICAM1ITGALTACR3

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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 TP53 4286/4885ITGB2 4080/4885ICAM1 4413/4885

“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.