SCHEMBL7190897

SCHEMBL7190897

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CSCCCc2ccccc2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.40
PTPN2 P17706 4/20 0.40
ALPG P10696 2/20 0.37
HTT P42858 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL7595074 0.85 PTPN1 (0.47) PTPN1PTPN2SMN1; SMN2LMNAPTPRC
SCHEMBL7594249 0.84 PTPN1 (0.36) PTPN1PTPN2SMN1; SMN2FDPSALDH1A1
SCHEMBL7595276 0.82 PTPN1 (0.39) PTPN1PTPN2PTPRCPTPN6PTPN11
SCHEMBL7187785 0.82 PTPN1 (0.54) PTPN1PTPN2ALPGHTTALPL
SCHEMBL7182093 0.81 PTPN1 (0.40) PTPN1PTPN2FDPSPTPRCPTPN6
SCHEMBL7598030 0.81 PTPN1 (0.37) PTPN1PTPN2ALDH1A1
SCHEMBL7190893 0.81 PTPN1 (0.42) PTPN1PTPN2ALPGHTTALPL
SCHEMBL7198603 0.81 PTPN1 (0.40) PTPN1PTPN2PTPRC
SCHEMBL3738515 0.80 TRPV1 (0.47) SMN1; SMN2ALDH1A1LMNA
SCHEMBL3741682 0.80 PTPN1 (0.41) 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 24/4885ALPG 1470/4885

“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.