SCHEMBL7183000

SCHEMBL7183000

O=P(O)(Oc1ccc(CSCc2ccccc2Cl)cc1Br)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 6/20 0.37
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7599157 0.90 PTPN1 (0.36) SMN1; SMN2ALDH1A1MAPTHPGDPTPN1
SCHEMBL7598583 0.88 CYP1A2 (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7184220 0.88 PPARA (0.33) TP53LMNAMAPTPTPN1CYP1A2
SCHEMBL7596788 0.88 LMNA (0.35) TP53MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7188022 0.88 SMN1; SMN2 (0.39) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7187756 0.88 LMNA (0.37) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7189759 0.87 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7188752 0.87 PTPN1 (0.34) PTPN1
SCHEMBL7183229 0.87 FDPS (0.36) MEN1KMT2ALMNAGFERMAPT
SCHEMBL7599756 0.85 PTPN1 (0.39) LMNASMN1; SMN2ALDH1A1MAPTPTPN1

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 TP53 1340/4885MEN1 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.