SCHEMBL7188743

SCHEMBL7188743

O=P(O)(O)C(F)(F)c1ccc(CCCSc2ccccn2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.45
PTPN2 P17706 4/20 0.45
MAPT P10636 3/20 0.43
PTPRC P08575 2/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL7183049 0.97 PTPN1 (0.44) PTPN1PTPN2MAPTPTPRCALDH1A1
SCHEMBL7188425 0.90 PTPN1 (0.46) PTPN1PTPN2PTPRCALDH1A1POLB
SCHEMBL7188739 0.88 MAPT (0.54) PTPN1PTPN2MAPTPTPRCALDH1A1
SCHEMBL7194584 0.87 PTPN1 (0.45) PTPN1PTPN2MAPTPTPRCALDH1A1
SCHEMBL7180337 0.83 PTPN1 (0.43) PTPN1PTPN2PTPRC
SCHEMBL7202537 0.82 PTPN1 (0.41) PTPN1PTPN2PTPRCPTPN6PTPN11
SCHEMBL7197764 0.81 PTPN1 (0.40) PTPN1PTPN2MAPTPTPRCALDH1A1
SCHEMBL7188054 0.81 PTPN1 (0.42) PTPN1PTPN2PTPRCPTPN6PTPN11
SCHEMBL7180251 0.80 PTPN1 (0.45) PTPN1PTPN2MAPTPTPRCPTPN6
SCHEMBL7202613 0.79 PTPN1 (0.41) PTPN1PTPN2PTPRCPTPN6PTPN11

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 24/4885MAPT 4057/4885

“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.