SCHEMBL5111903

SCHEMBL5111903

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
THRB P10828 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5393153 0.89 LTB4R (0.42) THRBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL5115000 0.89 BCHE (0.41) THRBKMT2ANPC1RAB9A
SCHEMBL12162029 0.88 GPR119 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4THRB
SCHEMBL5119254 0.85 PTGDR2 (0.38) THRBSIGMAR1MEN1KMT2AKDM4E
SCHEMBL14357354 0.78 LTB4R (0.38) THRBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL13687204 0.78 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL5393160 0.76 CA1 (0.39) THRBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13007889 0.76 NISCH (0.48)
SCHEMBL1901573 0.73 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL20683501 0.73 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4MEN1

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
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 US 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 (2 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 CHRNB2 4412/4885CHRNB4 4605/4885CHRNA3 4550/4885
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB CHRNB2 1023/4885CHRNB4 1649/4885CHRNA3 1592/4885

“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.