SCHEMBL5891995

SCHEMBL5891995

CCOC(=O)C(C)N(O)[PH](=O)C(F)(F)c1ccc(CN(Cc2ccc(-c3cccc(C#N)c3)cc2)S(=O)(=O)c2ccccc2OC)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
TP53 P04637 1/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTPN2 P17706 1/20 0.34
STAT3 P40763 1/20 0.34
PTPRS Q13332 1/20 0.34
ACLY P53396 3/20 0.34
MCHR1 Q99705 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PTGER2 P43116 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADAMTS4 O75173 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
SCHEMBL5891992 0.90 NR1H2 (0.35) NR1H2NR1H3TP53PTPN1ALDH1A1
SCHEMBL5891989 0.85 PTPN1 (0.37) NR1H2NR1H3TP53PTPN1ALDH1A1
SCHEMBL5891856 0.83 ACLY (0.36) NR1H2NR1H3PTPN1ALDH1A1ACLY
SCHEMBL5167003 0.82 PTPN5 (0.45) NR1H2NR1H3PTPN1PTPN2ACLY
SCHEMBL5165791 0.80 PTPN1 (0.36) NR1H2NR1H3PTPN1PTPN2ACLY
SCHEMBL5891853 0.80 PTPN1 (0.39) NR1H2NR1H3PTPN1PTPN2ACLY
SCHEMBL5188719 0.79 NR1H2 (0.33) NR1H2NR1H3PTPN1ACLYMCHR1
SCHEMBL5165795 0.79 ACLY (0.33) NR1H2NR1H3PTPN1PTPN2STAT3
SCHEMBL5163875 0.79 NR1H2 (0.32) NR1H2NR1H3PTPN1PTPN2STAT3
SCHEMBL5167825 0.78 PTPN1 (0.38) NR1H2NR1H3PTPN1PTPN2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS NR1H2 4860/4885NR1H3 4878/4885TP53 524/4885

“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.