SCHEMBL7189870

SCHEMBL7189870

CC(=O)Nc1ccc(SCc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN2 P17706 1/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7592734 0.90 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL7597528 0.88 RAB9A (0.45) PTPN1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7598551 0.87 RAB9A (0.44) PTPN1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7197816 0.82 PTPN1 (0.52) PTPN1MEN1KMT2ASMN1; SMN2PTPN2
SCHEMBL7182937 0.80 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL7185574 0.78 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL7186693 0.78 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL7595316 0.77 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL7188299 0.77 PTPN1 (0.51) PTPN1PTPN2HTTMAPTALDH1A1
SCHEMBL7189877 0.76 MEN1 (0.41) MEN1KMT2AMAPK1SMN1; SMN2RAB9A

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 13/4885MEN1 4448/4885KMT2A 3568/4885

“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.