SCHEMBL5165550

SCHEMBL5165550

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 19/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PTGES O14684 1/20 0.51
CXCR3 P49682 1/20 0.50

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
SCHEMBL5166028 0.91 TAS2R14 (0.48) TAS2R14PTGESCXCR3
SCHEMBL4955541 0.81 PTPRB (0.45) PTGES
SCHEMBL5165546 0.78 PTPN1 (0.65) TAS2R14MEN1KMT2ACXCR3
SCHEMBL5188296 0.78 PTPN1 (0.62)
SCHEMBL5177659 0.75 MEN1 (0.40) MEN1KMT2A
SCHEMBL1615817 0.73 TAS2R14 (1.00) TAS2R14MEN1KMT2APTGESCXCR3
SCHEMBL1615515 0.73 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3
SCHEMBL1278788 0.73 TAS2R14 (0.97) TAS2R14MEN1KMT2APTGESCXCR3
SCHEMBL5499275 0.72 FAAH (0.35) KMT2APTGES
SCHEMBL4903501 0.72 ALDH1A1 (0.43) MEN1KMT2A

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 4230/4885MEN1 4371/4885KMT2A 1237/4885

“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.