SCHEMBL7193700

SCHEMBL7193700

CC(C)CCOc1ccc(-c2ccc(CBr)cc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ PTPN6 P29350 1/20 0.55
▸ HTT P42858 1/20 0.46
▸ XDH P47989 6/20 0.46
▸ CFD P00746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41

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
SCHEMBL7594133 0.90 PTPN11 (0.55) PTPN11PTPN1PTPN6HTTXDH
SCHEMBL7184297 0.86 KDM4E (0.44) PTPN11PTPN1PTPN6HTTXDH
SCHEMBL9038729 0.77 MAPK1 (0.57) HTTXDHKDM4EMAPK1
SCHEMBL7190979 0.77 HTT (0.51) PTPN11HTTXDHKDM4EMAPK1
SCHEMBL7186778 0.77 GAK (0.36) PTPN11PTPN1PTPN6HTTXDH
Hydrochloric Acid SCHEMBL9038923 0.76 MAPK1 (0.56) HTTXDHKDM4EMAPK1
SCHEMBL7186784 0.76 ALDH1A1 (0.44) PTPN11PTPN1PTPN6HTTXDH
SCHEMBL7594052 0.75 KDM4E (0.45) PTPN11PTPN1PTPN6HTTXDH
SCHEMBL4603006 0.75 PTPN11 (0.65) PTPN11PTPN1PTPN6CFDADRB1
SCHEMBL568543 0.73 HTT (0.74) HTTKDM4EMAPK1

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 PTPN11 23/4885PTPN1 13/4885PTPN6 12/4885

“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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