SCHEMBL7187500

SCHEMBL7187500

CCOP(=O)(OCC)C(F)(F)c1ccc(CSc2ccc(-c3ccccc3)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
S1PR1 P21453 1/20 0.36
PTPN2 P17706 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 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
SCHEMBL7596371 0.91 PTPN1 (0.53) PTPN1PTPN2ALDH1A1KCNH2
SCHEMBL7182937 0.82 PTPN1 (0.58) PTPN1PTPN2HAO1
SCHEMBL7182940 0.82 PTPN1 (0.45) PTPN1S1PR1PTPN2HTTNPSR1
SCHEMBL7194385 0.82 EGFR (0.52) HTTNPSR1ELANEALDH1A1CYP1A2
SCHEMBL7194586 0.81 PTPN1 (0.36) PTPN1PTPN2HTTALDH1A1CYP1A2
SCHEMBL7187448 0.81 PTPN1 (0.47) PTPN1PTPN2NPSR1
SCHEMBL7200463 0.80 PTPN1 (0.52) PTPN1
SCHEMBL7193271 0.80 PTPN1 (0.47) PTPN1PTPN2NPSR1ALDH1A1MAPT
SCHEMBL7199267 0.78 PTPN1 (0.39) PTPN1PTPN2NPSR1ALDH1A1CYP1A2
SCHEMBL7190893 0.78 PTPN1 (0.42) PTPN1PTPN2HTTALDH1A1CYP1A2

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 13/4885S1PR1 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.