SCHEMBL7625008

SCHEMBL7625008

CC(C)(C)C(=O)OCc1cc(C(F)(F)P(=O)(O)O)c(Br)c(COC(=O)C(C)(C)C)c1CC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.54
PTPN2 P17706 3/20 0.54
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
ELANE P08246 1/20 0.32
PTPRC P08575 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 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
SCHEMBL7623932 0.91 PTPN1 (0.56) PTPN1PTPN2LMNAHSD17B10EPHX2
SCHEMBL7621376 0.88 PTPN1 (0.52) PTPN1PTPN2LMNAHSD17B10EPHX2
SCHEMBL7624690 0.87 PTPN1 (0.56) PTPN1PTPN2LMNAHSD17B10EPHX2
SCHEMBL7165173 0.79 PTPN1 (0.62) PTPN1PTPN2EPHX2PPARG
SCHEMBL6846458 0.78 PTPN1 (0.59) PTPN1PTPN2LMNAHSD17B10PTPRC
SCHEMBL7622221 0.75 PTPN1 (0.54) PTPN1PTPN2LMNAHSD17B10EPHX2
SCHEMBL7620482 0.71 PTPN1 (0.69) PTPN1PTPN2EPHX2PPARG
SCHEMBL5399352 0.71 PTPN1 (0.46) PTPN1PTPN2PPARGALDH1A1
SCHEMBL7161699 0.70 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL7165383 0.70 PTPN1 (0.59) PTPN1PTPN2LMNAHSD17B10EPHX2

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
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US claimed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US claimed
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 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-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA PTPN1 13/4885PTPN2 32/4885LMNA 4629/4885

“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.