SCHEMBL13202029

SCHEMBL13202029

CC(O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
ATM Q13315 1/20 0.54
CASP1 P29466 9/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
CTSK P43235 3/20 0.52
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
CTSB P07858 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL31264459 1.00 CTSL (0.56) CTSLCTSSATMCASP1TRPM8
SCHEMBL3202235 0.90 ATM (0.56) CTSLCTSSATMCASP1TRPM8
SCHEMBL19859590 0.90 ATM (0.56) CTSLCTSSATMCASP1TRPM8
SCHEMBL9749127 0.90 ATM (0.56) CTSLCTSSATMCASP1TRPM8
SCHEMBL25992761 0.89 CTSL (0.54) CTSLCTSSATMCASP1TRPM8
SCHEMBL28973696 0.89 CTSL (0.54) CTSLCTSSATMCASP1TRPM8
SCHEMBL29400812 0.87 CTSS (0.57) CTSLCTSSATMTRPM8CTSK
SCHEMBL8353955 0.86 CTSK (0.62) CTSLCTSSATMTRPM8CTSK
SCHEMBL9383948 0.86 CTSS (0.56) CTSLCTSSATMTRPM8CTSK
SCHEMBL5197791 0.85 CASP1 (0.52) CTSLCTSSATMCASP1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CTSL 105/4885CTSS 96/4885ATM 4658/4885

“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.