SCHEMBL4601876

SCHEMBL4601876

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.58
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
FDPS P14324 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CFD P00746 1/20 0.48
MCHR1 Q99705 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
RORC P51449 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL4601732 0.90 TDP1 (0.57) PTPN11PTPN1PTPN6FDPSHTT
SCHEMBL4601420 0.89 PTPN11 (0.59) PTPN11PTPN1PTPN6SMN1; SMN2MCHR1
SCHEMBL4601658 0.84 PTPN11 (0.67) PTPN11PTPN1PTPN6CFDKMT2A
SCHEMBL4601657 0.83 PTPN11 (0.70) PTPN11PTPN1PTPN6SMN1; SMN2MAPT
SCHEMBL4603016 0.82 PTPN11 (0.82) PTPN11PTPN1PTPN6CFD
SCHEMBL4601726 0.81 PTPN11 (0.68) PTPN11PTPN1PTPN6CFDKMT2A
SCHEMBL4601206 0.81 PTPN11 (0.64) PTPN11PTPN1PTPN6CFDADRB1
SCHEMBL28013080 0.81 TDP1 (0.60) FDPSSMN1; SMN2MAPTHSD17B10TDP1
SCHEMBL4601679 0.81 PTPN11 (0.64) PTPN11PTPN1PTPN6MAPTCFD
SCHEMBL4600819 0.81 PTPN11 (0.60) PTPN11PTPN1PTPN6CFDADRB1

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.