SCHEMBL7188069

SCHEMBL7188069

O=P(O)(O)C(F)(F)c1ccc(CSc2ncccn2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.52
PTPN2 P17706 3/20 0.49
HSD17B10 Q99714 2/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPK1 P28482 1/20 0.43
PTPRC P08575 2/20 0.43
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
SCHEMBL7188739 0.88 MAPT (0.54) PTPN1PTPN2MAPTSMN1; SMN2NPC1
SCHEMBL7188425 0.86 PTPN1 (0.46) PTPN1PTPN2HSD17B10SMN1; SMN2HPGD
SCHEMBL7194584 0.85 PTPN1 (0.45) PTPN1PTPN2HSD17B10MAPTSMN1; SMN2
SCHEMBL7659253 0.82 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7185478 0.81 PTPN1 (0.48) PTPN1PTPN2SMN1; SMN2HPGDPTPRC
SCHEMBL7187658 0.81 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7199439 0.81 PTPN1 (0.48) PTPN1PTPN2SMN1; SMN2HPGDPTPRC
SCHEMBL7195282 0.80 PTPN1 (0.62) PTPN1PTPN2SMN1; SMN2PTPRC
SCHEMBL7197860 0.80 SMN1; SMN2 (0.49) PTPN1PTPN2HSD17B10MAPTSMN1; SMN2
SCHEMBL7599748 0.80 PTPN1 (0.65) 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 13/4885PTPN2 24/4885HSD17B10 618/4885

“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.