SCHEMBL5166028

SCHEMBL5166028

COC(=O)c1ccc(CN(Cc2ccc(CP(=O)(OF)OF)c(Br)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 12/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
CXCR3 P49682 2/20 0.45
PTGES O14684 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL5165550 0.91 TAS2R14 (0.57) TAS2R14CXCR3PTGES
SCHEMBL4956610 0.82 PTPRB (0.47) KDM4EALDH1A1MAPT
SCHEMBL5166021 0.81 PTPN1 (0.65) TAS2R14KDM4EALDH1A1MAPT
SCHEMBL5163635 0.78 PTPN1 (0.53) TAS2R14KDM4EALDH1A1POLBMAPT
SCHEMBL13939149 0.76 TAS2R14 (0.77) TAS2R14POLBMAPTCXCR3PTGES
SCHEMBL5188296 0.75 PTPN1 (0.62)
SCHEMBL5499145 0.74 FAAH (0.40) KDM4EALDH1A1MAPTTP53
SCHEMBL4899408 0.74 HDAC1 (0.42) ALDH1A1
SCHEMBL1169700 0.74 TAS2R14 (0.75) TAS2R14POLBMAPTCXCR3PTGES
SCHEMBL4954893 0.74 RAB9A (0.40) KDM4EALDH1A1POLBMAPT

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 TAS2R14 4230/4885KDM4E 345/4885ALDH1A1 3296/4885

“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.