SCHEMBL7594249

SCHEMBL7594249

CCC(C)OP(=O)(O)C(F)(F)c1ccc(C(C)SCCCc2ccccc2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
FDPS P14324 5/20 0.31
CYSLTR2 Q9NS75 3/20 0.31
CYSLTR1 Q9Y271 3/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
GGPS1 O95749 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
SCHEMBL7598030 0.95 PTPN1 (0.37) PTPN1PTPN2ATML3MBTL1ALDH1A1
SCHEMBL7190897 0.84 PTPN1 (0.40) PTPN1PTPN2FDPSLMNASMN1; SMN2
SCHEMBL7194715 0.83 NPSR1 (0.35) PTPN1PTPN2LMNANPC1RAB9A
SCHEMBL7187777 0.82 PTPN2 (0.35) PTPN1PTPN2CYSLTR2CYSLTR1NPC1
SCHEMBL7599323 0.81 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL7595276 0.78 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL3738015 0.78 MLYCD (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3743393 0.77 ALDH1A1 (0.47) PTPN1PTPN2ALDH1A1
SCHEMBL7182093 0.77 PTPN1 (0.40) PTPN1PTPN2FDPS
SCHEMBL3738515 0.76 TRPV1 (0.47) LMNASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 24/4885FDPS 451/4885

“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.