SCHEMBL4301872

SCHEMBL4301872

COc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@H](CN3C(=O)c4ccccc4C3=O)N(C(=O)O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSC P53634 2/20 0.51
KMT2A Q03164 4/20 0.50
CTSB P07858 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
VDR P11473 1/20 0.44
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4298295 0.91 CPT2 (0.50) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL4290246 0.91 BRD4 (0.44) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL8063921 0.90 CTSL (0.48) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL13662006 0.88 CTSL (0.52) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL4305837 0.84 CTSL (0.57) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL8047069 0.81 CPT2 (0.46) BRD4RXFP1CPT2CPT1ACPT1B
SCHEMBL8063144 0.81 BRD4 (0.43) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL4301195 0.81 CTSL (0.51) CTSLCTSSCTSKCTSCKMT2A
SCHEMBL4291968 0.80 ALDH1A1 (0.42) KMT2APOLBMEN1VDRMAPT
SCHEMBL3952780 0.79 CTSL (0.70) CTSLCTSSCTSKCTSCKMT2A

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 CTSL 7/4885CTSS 2/4885CTSK 12/4885

“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.