SCHEMBL4297028

SCHEMBL4297028

CS(=O)(=O)O[C@H]1C[C@H](COc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.38
NR1D1 P20393 1/20 0.36
ITGA4 P13612 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL3947198 0.87 NR1H2 (0.41) CASP3
SCHEMBL18426092 0.82 MMP2 (0.33) MMP2ANPEP
SCHEMBL13661938 0.81 SCN3A (0.34) SCN3AFFAR4ALDH1A1CASP3CASP7
SCHEMBL3249508 0.80 MMP2 (0.35) MMP2ANPEP
SCHEMBL6974057 0.80 NR1D1 (0.41) NR1D1FFAR4
SCHEMBL26086744 0.80 MMP2 (0.35) MMP2ANPEP
SCHEMBL3945694 0.80 NR1D1 (0.41) NR1D1FFAR4
SCHEMBL3945766 0.80 MMP2 (0.35) MMP2ANPEP
SCHEMBL20484877 0.79 SMYD2 (0.34) MMP2ANPEP
SCHEMBL1462582 0.79 SMYD2 (0.34) MMP2ANPEP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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 (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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF SCN3A 2150/4885NR1D1 1663/4885ITGA4 3897/4885

“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.