SCHEMBL7594622

SCHEMBL7594622

Cn1nnnc1SCc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
MAPK10 P53779 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL7205796 0.88 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL7198905 0.87 PTPN1 (0.41) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL7197860 0.81 SMN1; SMN2 (0.49) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL7659253 0.76 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7197407 0.76 RAB9A (0.53) ALDH1A1RAB9ANPC1CYP2C19HPGD
SCHEMBL7187612 0.75 PTPN1 (0.57) PTPN1PTPN2PTPRC
SCHEMBL5184220 0.75 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL7188069 0.75 PTPN1 (0.52) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL5182346 0.74 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL7188739 0.73 MAPT (0.54) ALDH1A1RAB9ANPC1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO ALDH1A1 312/4885RAB9A 911/4885NPC1 2966/4885

“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.