SCHEMBL6703554

SCHEMBL6703554

O=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
GRIN2B Q13224 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4685652 0.87 CTSK (0.45) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6703551 0.84 ALDH1A1 (0.41) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6697424 0.83 CTSK (0.50) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6809592 0.83 CTSK (0.50) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL7423583 0.81 CTSK (0.42) ALDH1A1GAACTSLCTSSCTSK
SCHEMBL6590701 0.80 CTSK (0.42) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6598086 0.79 CTSK (0.39) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL5098825 0.78 CTSK (0.43) CTSLCTSSCTSKCTSBLMNA
SCHEMBL5096645 0.78 CTSK (0.37) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL5105260 0.78 CTSK (0.43) CTSLCTSSCTSKCTSBLMNA

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-20040192674-A1 Cathepsin L inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 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-20040192674-A1 Cathepsin L inhibitors CTSE, CTSV, CTSL ALDH1A1 3080/4885GAA 280/4885MEN1 4648/4885

“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.