SCHEMBL5166715

SCHEMBL5166715

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
PTPN2 P17706 2/20 0.41
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.36
NR1I2 O75469 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NR1H2 P55055 1/20 0.35

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) PTPN1PTPN2CNR1CNR2HTT
SCHEMBL5166705 0.83 CNR1 (0.42) PTPN1PTPN2CNR1CNR2HTT
SCHEMBL4955529 0.80 GCGR (0.41) PTPN1PTPN2
SCHEMBL5500087 0.79 PTPN1 (0.33) PTPN1PTPN2
SCHEMBL4958464 0.78 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL5165963 0.77 PTPN1 (0.49) PTPN1PTPN2MAPT
SCHEMBL3732885 0.77 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL5503231 0.77 PTPN1 (0.36) PTPN1PTPN2
SCHEMBL3736018 0.76 PTPN1 (0.39) PTPN1PTPN2NPSR1
SCHEMBL3736625 0.76 PTPN1 (0.41) PTPN1PTPN2TRPM8

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 12/4885CNR1 3562/4885

“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.