SCHEMBL7197860

SCHEMBL7197860

Cn1ccnc1SCc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PTPN1 P18031 7/20 0.47
HDAC1 Q13547 1/20 0.47
POLB P06746 2/20 0.45
PTPN2 P17706 2/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 1/20 0.40
ALOX15B O15296 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTPRC P08575 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7197764 0.88 PTPN1 (0.40) SMN1; SMN2PTPN1HDAC1POLBPTPN2
SCHEMBL7202806 0.87 ALDH1A1 (0.40) SMN1; SMN2PTPN1HDAC1POLBPTPN2
SCHEMBL7594622 0.81 ALDH1A1 (0.53) SMN1; SMN2PTPN1POLBPTPN2ALDH1A1
SCHEMBL7188069 0.80 PTPN1 (0.52) SMN1; SMN2PTPN1PTPN2ALDH1A1NPC1
SCHEMBL7188739 0.78 MAPT (0.54) SMN1; SMN2PTPN1HDAC1POLBPTPN2
SCHEMBL7659253 0.76 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7197407 0.76 RAB9A (0.53) SMN1; SMN2PTPN1POLBPTPN2ALDH1A1
SCHEMBL7187612 0.75 PTPN1 (0.57) PTPN1PTPN2PTPRC
SCHEMBL7186693 0.75 PTPN1 (0.52) PTPN1PTPN2PTPRC
SCHEMBL7195282 0.75 PTPN1 (0.62) SMN1; SMN2PTPN1PTPN2PTPRC

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 5 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
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
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
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO SMN1; SMN2 3541/4885PTPN1 13/4885HDAC1 3249/4885

“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.