SCHEMBL5163077

SCHEMBL5163077

COC(=O)c1cc(-c2ccc(CN(Cc3ccc(CP(=O)(OF)OF)c(Cl)c3)S(=O)(=O)c3ccccc3OC)cc2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.40
NR1H2 P55055 2/20 0.39
TP53 P04637 3/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRG P23470 1/20 0.36
TSHR P16473 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL5166577 0.93 ALDH1A1 (0.41) LMNAMAPTHTTNPSR1NR1H2
SCHEMBL5164817 0.89 PTPN1 (0.42) LMNAMAPTHTTNPSR1NR1H2
SCHEMBL5164531 0.89 NR1H2 (0.40) LMNAMAPTHTTNPSR1HPGD
SCHEMBL5166616 0.87 TP53 (0.39) LMNAMAPTHTTNPSR1NR1H2
SCHEMBL5164630 0.86 ACLY (0.42) LMNAMAPTHTTNPSR1NR1H2
SCHEMBL5165874 0.85 ACLY (0.44) LMNAMAPTHTTNPSR1NR1H2
SCHEMBL5163073 0.85 PTPN1 (0.45) LMNAMAPTHTTNPSR1HPGD
SCHEMBL5189003 0.85 LMNA (0.40) LMNAHPGDNR1H4PTPRCPTPN1
SCHEMBL5167005 0.83 NR1H2 (0.42) LMNANR1H2NR1H3ALDH1A1TSHR
SCHEMBL5167311 0.83 NR1H2 (0.39) LMNAMAPTHTTNPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS LMNA 4794/4885MAPT 3572/4885HTT 1854/4885

“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.