SCHEMBL18356296

SCHEMBL18356296

O=C(CBr)c1cc(F)c(Br)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.52
GSK3B P49841 13/20 0.48
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL1849394 0.84 CES2 (0.56) PTPN1GSK3BCES2CES1
SCHEMBL16600782 0.83 PTPN1 (0.52) PTPN1GSK3BCES2CES1
SCHEMBL3549232 0.81 MAPT (0.50) CES2CES1HDAC1HDAC6
SCHEMBL20819692 0.81 HDAC1 (0.52) PTPN1GSK3BCES2CES1HDAC1
SCHEMBL18355570 0.81 GSK3B (0.43) GSK3BCES2CES1HDAC1HDAC6
SCHEMBL23112490 0.81 GSK3B (0.50) PTPN1GSK3BCES2CES1
SCHEMBL18629793 0.80 PTPN1 (0.46) PTPN1GSK3B
SCHEMBL11642081 0.79 HDAC1 (0.46) PTPN1GSK3BHDAC1HDAC6
SCHEMBL6543881 0.78 GSK3B (0.59) PTPN1GSK3B
SCHEMBL2953875 0.78 PTPN1 (0.57) PTPN1GSK3BCES2CES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 PTPN1 1287/4885GSK3B 2725/4885CES2 3957/4885

“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.