SCHEMBL5166705

SCHEMBL5166705

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
PTPN1 P18031 3/20 0.41
PTPN2 P17706 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 3/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PKM P14618 2/20 0.37
NR1I2 O75469 2/20 0.37
HTT P42858 2/20 0.36
NR3C1 P04150 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 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
SCHEMBL5177656 0.86 PTPN1 (0.49) CNR1CNR2PTPN1PTPN2MEN1
SCHEMBL5166715 0.83 PTPN1 (0.41) CNR1CNR2PTPN1PTPN2MEN1
SCHEMBL5165954 0.79 PTPN1 (0.53) CNR2PTPN1PTPN2MAPT
SCHEMBL4955519 0.78 GCGR (0.40)
SCHEMBL5500080 0.77 PTPN1 (0.32) PTPN1PTPN2
SCHEMBL5177659 0.76 MEN1 (0.40) CNR1CNR2MEN1KMT2AL3MBTL1
SCHEMBL4958455 0.76 PTPN2 (0.38) PTPN1PTPN2MEN1KMT2APOLB
SCHEMBL5163635 0.75 PTPN1 (0.53) PTPN1PTPN2POLBMAPTALDH1A1
SCHEMBL5503199 0.74 PTPN1 (0.34) PTPN1PTPN2
SCHEMBL3732880 0.74 PTPN1 (0.41) PTPN1PTPN2LMNAALDH1A1TSHR

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 CNR1 3562/4885CNR2 4188/4885PTPN1 2/4885

“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.