SCHEMBL7045308

SCHEMBL7045308

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
XDH P47989 1/20 0.42
DAGLA Q9Y4D2 2/20 0.40
PRSS8 Q16651 2/20 0.39
CMA1 P23946 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.38
PTGES O14684 5/20 0.38
PTGS2 P35354 3/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6463419 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6465141 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6468629 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6464884 0.89 CTSS (0.49) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7049339 0.88 CTSS (0.53) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7049425 0.88 CTSL (0.49) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL7043392 0.87 DAGLA (0.55) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6464300 0.85 CTSS (0.44) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6465745 0.83 KMT2A (0.43) CTSSCTSLCTSBKMT2ALMNA
SCHEMBL7047962 0.83 KMT2A (0.44) CTSSCTSLCTSBCTSKKMT2A

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.