SCHEMBL4602914

SCHEMBL4602914

CCCOc1ccc(-c2ccc(S(=O)(=O)C(C)C)cc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.56
S1PR3 Q99500 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
ADRB1 P08588 4/20 0.43
ADRB3 P13945 4/20 0.43
CFD P00746 1/20 0.43
WDR5 P61964 1/20 0.40
SRD5A2 P31213 1/20 0.40
FABP4 P15090 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MCL1 Q07820 1/20 0.39
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL6629138 0.90 S1PR3 (0.61) PTPN11S1PR3PTPN1PTPN6WDR5
SCHEMBL4600819 0.86 PTPN11 (0.60) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4602917 0.84 PTPN11 (0.57) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4603854 0.83 PTPN11 (0.56) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4600372 0.83 PTPN11 (0.56) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4601658 0.82 PTPN11 (0.67) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4603016 0.80 PTPN11 (0.82) PTPN11PTPN1PTPN6CFDSRD5A2
SCHEMBL4601726 0.79 PTPN11 (0.68) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4601679 0.79 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6ADRB1
SCHEMBL4601206 0.79 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6ADRB1

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 3529/4885S1PR3 216/4885PTPN1 3489/4885

“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.