SCHEMBL7190920

SCHEMBL7190920

CCCCOc1ccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)cc1P(=O)(O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.57
▸ S1PR1 P21453 3/20 0.39
▸ PTPN2 P17706 3/20 0.38
▸ S1PR2 O95136 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.37
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7597545 0.89 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL7592836 0.85 PTPN1 (0.48) PTPN1S1PR1S1PR2S1PR3LPAR2
SCHEMBL7597536 0.85 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL7592832 0.81 PTPN1 (0.44) PTPN1S1PR1S1PR2S1PR3LPAR2
SCHEMBL7189795 0.79 PTPN1 (0.54) PTPN1PTPN2PTPN6PTPN11HTT
SCHEMBL7198002 0.78 PTPN1 (0.72) PTPN1PTPN2
SCHEMBL7659253 0.78 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL7595303 0.77 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL7189804 0.77 PTPN5 (0.43) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7193734 0.76 PTPN1 (0.55) PTPN1S1PR1PTPN2S1PR2S1PR3

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 13/4885S1PR1 2569/4885PTPN2 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.

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