SCHEMBL7194965

SCHEMBL7194965

CC(C)CC(C)C(C(=O)O)c1cc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)cc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.46
▸ PTPN2 P17706 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PTPN6 P29350 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ PTPRC P08575 2/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ UBE2N P61088 1/20 0.32

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
SCHEMBL7599118 0.76 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL7194955 0.75 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL7193580 0.74 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL7198002 0.74 PTPN1 (0.72) PTPN1PTPN2PTPRC
SCHEMBL7595283 0.71 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL7600045 0.71 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL7187281 0.71 PTPN1 (0.62) PTPN1PTPN2PTPRC
SCHEMBL7187658 0.71 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7597991 0.70 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL7194760 0.70 PTPN1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 24/4885L3MBTL1 3939/4885

“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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