SCHEMBL7202613

SCHEMBL7202613

O=P(O)(O)C(F)(F)c1ccc(CCCCSc2ncc[nH]2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.41
FDPS P14324 1/20 0.40
PTPN2 P17706 4/20 0.40
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPRC P08575 2/20 0.36
HDAC1 Q13547 1/20 0.36
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL7202537 0.97 PTPN1 (0.41) PTPN1FDPSPTPN2PTPN6PTPN11
SCHEMBL7194584 0.83 PTPN1 (0.45) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7183049 0.82 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7188425 0.80 PTPN1 (0.46) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7188743 0.79 PTPN1 (0.45) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7202806 0.78 ALDH1A1 (0.40) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7191434 0.78 PTPN1 (0.44) PTPN1FDPSPTPN2PTPN6PTPN11
SCHEMBL7598948 0.78 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL7202619 0.78 FDPS (0.41) FDPSHDAC1GRIN2AGRIN2BGPR84
SCHEMBL7598714 0.78 MAOB (0.56) GPR84

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 13/4885FDPS 451/4885PTPN2 24/4885

“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.