SCHEMBL7197407

SCHEMBL7197407

Cc1nnc(SCc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 8/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PTPN1 P18031 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
PTPN2 P17706 1/20 0.43

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
SCHEMBL7202339 0.87 PTPN1 (0.41) RAB9ANPC1LMNAMAPTALDH1A1
SCHEMBL7193781 0.86 PTPN1 (0.41) RAB9ANPC1LMNAMAPTALDH1A1
SCHEMBL7659253 0.78 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL7201246 0.78 PTPN1 (0.53) PTPN1MEN1KMT2APTPN2
SCHEMBL7595552 0.77 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL7187612 0.77 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL7188069 0.77 PTPN1 (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL7183029 0.77 PTPN1 (0.48) RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7594622 0.76 ALDH1A1 (0.53) RAB9ANPC1LMNAL3MBTL1MAPT
SCHEMBL7197860 0.76 SMN1; SMN2 (0.49) RAB9ANPC1L3MBTL1MAPTALDH1A1

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 RAB9A 911/4885NPC1 2966/4885LMNA 4857/4885

“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.