SCHEMBL4601482

SCHEMBL4601482

CCOc1ccc(-c2ccccc2SC)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.56
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MCL1 Q07820 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.43
KLK14 Q9P0G3 1/20 0.43
KLK5 Q9Y337 1/20 0.43
PTPRC P08575 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CFD P00746 1/20 0.41
IDO1 P14902 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4601835 0.83 MCL1 (0.61) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4603368 0.81 PTPN11 (0.59) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL2771810 0.80 CFD (0.61) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4602831 0.79 PTPN11 (0.53) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4602058 0.79 PTPN11 (0.55) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4600417 0.78 PTPN11 (0.60) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4601339 0.78 PTPN11 (0.54) PTPN11KMT2ATSHRHSD17B10LMNA
SCHEMBL4600951 0.78 PTPN11 (0.54) PTPN11KMT2ALMNAALDH1A1MCL1
SCHEMBL4602608 0.75 DHODH (0.53) PTPN11KMT2ATSHR
SCHEMBL4602041 0.74 PTPN11 (0.57) PTPN11KMT2ATSHRHSD17B10LMNA

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 3529/4885KMT2A 916/4885TSHR 122/4885

“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.