SCHEMBL4601864

SCHEMBL4601864

CCOc1ccc(-c2ccc(S(=O)(=O)CC)cc2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.52
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
S1PR3 Q99500 1/20 0.49
CFD P00746 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.43
WDR5 P61964 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL4600819 0.89 PTPN11 (0.60) PTPN11PTPN1PTPN6PTGDR2S1PR3
SCHEMBL29017033 0.88 S1PR3 (0.57) PTGDR2S1PR3TSHRHSD17B10LMNA
SCHEMBL2771810 0.87 CFD (0.61) PTPN11PTPN1PTPN6S1PR3CFD
SCHEMBL4603368 0.84 PTPN11 (0.59) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4602041 0.82 PTPN11 (0.57) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4602917 0.82 PTPN11 (0.57) PTPN11PTPN1PTPN6PTGDR2S1PR3
SCHEMBL4602938 0.81 PTPN11 (0.56) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4600863 0.81 PTPN11 (0.56) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4600417 0.81 PTPN11 (0.60) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4600782 0.80 PTPN11 (0.54) PTPN11PTPN1PTPN6CFDTSHR

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 3529/4885PTPN1 3489/4885PTPN6 4028/4885

“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.