SCHEMBL4601411

SCHEMBL4601411

CCCOc1ccc(-c2cc3ccccc3s2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.40
CCKBR P32239 2/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
HTR1A P08908 3/20 0.36
SLC6A4 P31645 2/20 0.36
PPARG P37231 1/20 0.35
CLK1 P49759 1/20 0.35
HTR2A P28223 1/20 0.35
SNCA P37840 3/20 0.35
AKT1 P31749 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL4600996 0.92 SNCA (0.41) CCKBRSNCAAKT1
SCHEMBL14611085 0.86 HTR2A (0.38) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL14557962 0.86 ITGB2 (0.45) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL4602005 0.86 AKT1 (0.42) CCKBRSNCAAKT1
SCHEMBL14610574 0.86 AKT1 (0.42) CCKBRSNCAAKT1
SCHEMBL4602611 0.86 ITGB2 (0.39) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL4601735 0.85 CCKBR (0.52) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL14557691 0.85 HTR2A (0.40) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL4601520 0.84 ADAM17 (0.37) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL4601955 0.84 MAPT (0.40) CCKBRITGB2ICAM1ITGALHTR1A

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 7 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
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 PIN1 4544/4885CCKBR 249/4885ITGB2 4080/4885

“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.