SCHEMBL7202339

SCHEMBL7202339

Cc1nnc(SCCCc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
PTPN2 P17706 4/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPRC P08575 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7193781 0.97 PTPN1 (0.41) PTPN1NPC1RAB9APTPN2MAPT
SCHEMBL7197407 0.87 RAB9A (0.53) PTPN1NPC1RAB9APTPN2MAPT
SCHEMBL7188425 0.79 PTPN1 (0.46) PTPN1PTPN2ALDH1A1SMN1; SMN2PTPRC
SCHEMBL7202347 0.79 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7197764 0.78 PTPN1 (0.40) PTPN1NPC1RAB9APTPN2MAPT
SCHEMBL7205796 0.78 ALDH1A1 (0.41) PTPN1NPC1RAB9APTPN2MAPT
SCHEMBL7188743 0.78 PTPN1 (0.45) PTPN1NPC1RAB9APTPN2MAPT
SCHEMBL7188710 0.78 PTPN1 (0.42) PTPN1NPC1RAB9APTPN2ALDH1A1
SCHEMBL7186729 0.77 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL7194608 0.77 PTPN1 (0.44) PTPN1PTPN2PTPRC

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 PTPN1 13/4885NPC1 2966/4885RAB9A 911/4885

“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.