SCHEMBL7182085

SCHEMBL7182085

CCOP(=O)(OCC)C(F)(F)c1ccc(CCCCBr)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.37
PTPN2 P17706 5/20 0.37
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NOTUM Q6P988 1/20 0.32
S1PR1 P21453 2/20 0.31
PTPRC P08575 1/20 0.31
S1PR3 Q99500 1/20 0.30

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
SCHEMBL7188073 0.96 PTPN1 (0.36) PTPN1PTPN2PTPN6PTPN11PTPRC
SCHEMBL3733049 0.86 PTPN1 (0.38) PTPN1PTPN2NOTUMPTPRC
SCHEMBL3800605 0.85 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL13850697 0.84 PTPN1 (0.35) PTPN1PTPN2NOTUMPTPRC
Hydrochloric Acid SCHEMBL3800600 0.84 PTPN1 (0.38) PTPN1PTPN2
SCHEMBL3741679 0.83 PTPN1 (0.41) PTPN1PTPN2NOTUMPTPRC
SCHEMBL27696008 0.82 PTPN1 (0.40) PTPN1PTPN2NOTUMPTPRC
SCHEMBL3735415 0.82 HTR2A (0.35) PTPN1PTPN2NOTUM
SCHEMBL3736015 0.81 PTPN1 (0.38) PTPN1PTPN2
SCHEMBL3737645 0.81 PTPN1 (0.36) PTPN1PTPN2

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 24/4885PTPN6 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.