SCHEMBL6741513

SCHEMBL6741513

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 1/20 0.41
CTSS P25774 5/20 0.41
CTSB P07858 4/20 0.41
CTSK P43235 3/20 0.41
CTSV O60911 1/20 0.41
TACR1 P25103 1/20 0.40
MCL1 Q07820 2/20 0.40
GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL7662418 0.90 CTSL (0.46) CTSLMRGPRX4KMT2ACTSSCTSB
SCHEMBL7660288 0.88 CTSL (0.48) CTSLCTSSCTSBCTSKCTSV
SCHEMBL6737525 0.88 CTSL (0.46) CTSLMRGPRX4CTSSCTSBCTSK
SCHEMBL6744437 0.88 CTSL (0.46) CTSLMRGPRX4KMT2ACTSSCTSB
SCHEMBL6744804 0.86 CTSL (0.46) CTSLMAPTMEN1KMT2AALDH1A1
SCHEMBL6744103 0.85 CTSL (0.53) CTSLMRGPRX4MAPTALDH1A1KCNH2
SCHEMBL7661637 0.85 CTSL (0.49) CTSLMRGPRX4CTSSCTSBCTSK
SCHEMBL6062636 0.85 CTSL (0.46) CTSLMRGPRX4CTSSCTSBCTSK
SCHEMBL6740918 0.83 EPHX2 (0.47) CTSLCTSSCTSBCTSK
SCHEMBL6061796 0.82 CTSL (0.47) CTSLCTSSCTSBCTSKCTSV

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSL 10/4885MRGPRX4 729/4885TP53 1212/4885

“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.