SCHEMBL7183029

SCHEMBL7183029

O=P(O)(O)C(F)(F)c1ccc(CSc2nc(-c3ccccc3)cs2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.48
PTPN2 P17706 4/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 4/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPRC P08575 3/20 0.41
PLAU P00749 1/20 0.40
CXCR2 P25025 1/20 0.39
MEN1 O00255 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
SCHEMBL7188710 0.89 PTPN1 (0.42) PTPN1PTPN2TP53TSHRMCL1
SCHEMBL7183062 0.89 PTPN1 (0.41) PTPN1PTPN2TP53TSHRMCL1
SCHEMBL7183037 0.79 TSHR (0.44) TP53TSHRMCL1L3MBTL1RAB9A
SCHEMBL7182937 0.78 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL7198002 0.78 PTPN1 (0.72) PTPN1PTPN2PTPRC
SCHEMBL7198735 0.77 ROCK2 (0.50) PTPN1PTPN2TP53TSHRL3MBTL1
SCHEMBL7197407 0.77 RAB9A (0.53) PTPN1PTPN2L3MBTL1RAB9AHTT
SCHEMBL7187658 0.76 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7188069 0.76 PTPN1 (0.52) PTPN1PTPN2RAB9ANPC1SMN1; SMN2
SCHEMBL7599748 0.75 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 24/4885TP53 1340/4885

“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.