SCHEMBL6846458

SCHEMBL6846458

CC(C)(C)c1cc(C(F)(F)P(=O)(O)O)c(Br)c(C(C)(C)C)c1CC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.59
PTPN2 P17706 2/20 0.59
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
PAX8 Q06710 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACP1 P24666 1/20 0.32
PTPN5 P54829 2/20 0.31
PTPRC P08575 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
SCHEMBL7620180 0.90 PTPN1 (0.46) PTPN1PTPN2PGK1PGK2PTPN5
SCHEMBL7626428 0.85 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7618272 0.83 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL7165383 0.78 PTPN1 (0.59) PTPN1PTPN2LMNAHSD17B10MITF
SCHEMBL7165173 0.78 PTPN1 (0.62) PTPN1PTPN2PTPN5
SCHEMBL7625008 0.78 PTPN1 (0.54) PTPN1PTPN2LMNAHSD17B10ALDH1A1
SCHEMBL7623932 0.77 PTPN1 (0.56) PTPN1PTPN2LMNAHSD17B10PTPN5
SCHEMBL7625404 0.76 PTPN1 (0.45) PTPN1PTPN2LMNAHTTSMN1; SMN2
SCHEMBL5398102 0.75 PGK1 (0.44) PTPN1PTPN2PGK1PGK2ACP1
SCHEMBL7620396 0.75 S1PR1 (0.35) PTPN1PTPN2PTPN5

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-6777433-B2 BIS((DIFLUORO-PHOSPHONATO-METHYL)PHENYL) DERIVATIVES; ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-08-17 US disclosed
US-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2003-06-19 US disclosed
US-6448429-B1 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-09-10 US disclosed
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2002-05-02 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 (2 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-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885PTPN2 22/4885LMNA 4772/4885
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885PTPN2 22/4885LMNA 4772/4885

“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.