SCHEMBL5163635

SCHEMBL5163635

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(Cc2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccccc2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
PTPN2 P17706 2/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.48
TAS2R14 Q9NYV8 7/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CXCR3 P49682 1/20 0.43

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
SCHEMBL5166021 0.89 PTPN1 (0.65) PTPN1PTPN2MAPTTAS2R14KDM4E
SCHEMBL5165954 0.87 PTPN1 (0.53) PTPN1PTPN2MAPT
SCHEMBL5166237 0.79 PTPN1 (0.50) PTPN1PTPN2MAPT
SCHEMBL5165546 0.79 PTPN1 (0.65) PTPN1PTPN2TAS2R14CXCR3
SCHEMBL5165963 0.79 PTPN1 (0.49) PTPN1PTPN2MAPT
SCHEMBL5166028 0.78 TAS2R14 (0.48) MAPTPOLBTAS2R14TP53KDM4E
SCHEMBL4897885 0.75 MAPK10 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5166705 0.75 CNR1 (0.42) PTPN1PTPN2MAPTPOLBALDH1A1
SCHEMBL5188294 0.75 PTPN1 (0.75) PTPN1PTPN2
SCHEMBL13939149 0.74 TAS2R14 (0.77) MAPTPOLBTAS2R14CXCR3

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 PTPN1 2/4885PTPN2 12/4885MAPT 3572/4885

“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.