SCHEMBL4601232

SCHEMBL4601232

CCCOc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.57
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
KIF11 P52732 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
DHFR P00374 1/20 0.45
S1PR3 Q99500 1/20 0.45
WDR5 P61964 1/20 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
SCHEMBL4601420 0.84 PTPN11 (0.59) PTPN11PTPN1PTPN6MEN1TSHR
SCHEMBL4602860 0.82 PTPN11 (0.60) PTPN11PTPN1PTPN6KMT2AS1PR3
SCHEMBL4601726 0.81 PTPN11 (0.68) PTPN11PTPN1PTPN6KMT2ADHFR
SCHEMBL4601658 0.81 PTPN11 (0.67) PTPN11PTPN1PTPN6KMT2ADHFR
SCHEMBL4040652 0.81 KIF11 (0.55) IKBKBCHUKKIF11BRD4POLB
SCHEMBL4601634 0.80 PTPN11 (0.57) PTPN11PTPN1PTPN6S1PR3WDR5
SCHEMBL4600952 0.79 PTPN11 (0.85) PTPN11PTPN1PTPN6LMNAKMT2A
SCHEMBL4601762 0.79 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2AS1PR3
SCHEMBL4602661 0.79 PTPN11 (0.65) PTPN11PTPN1PTPN6CYP3A4KMT2A
SCHEMBL4600995 0.79 PTPN11 (0.65) PTPN11PTPN1PTPN6LMNAKMT2A

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.