SCHEMBL18355255

SCHEMBL18355255

CCOC(=O)/C=C/C(=O)OC[C@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.52
LGMN Q99538 1/20 0.49
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP8 Q14790 1/20 0.49
CASP10 Q92851 1/20 0.49
MAPT P10636 2/20 0.48
HCAR2 Q8TDS4 1/20 0.48
ELANE P08246 2/20 0.47
MDM4 O15151 1/20 0.47
LMNA P02545 1/20 0.47
MDM2 Q00987 1/20 0.47
ATM Q13315 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
PRTN3 P24158 2/20 0.46
CTSK P43235 2/20 0.46

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
SCHEMBL18355454 1.00 CTSL (0.56) CTSLCTSBLGMNCASP1CASP3
SCHEMBL18352556 0.95 HCAR2 (0.52) CTSLCTSBHCAR2ELANELMNA
SCHEMBL18352579 0.95 HCAR2 (0.52) CTSLCTSBHCAR2ELANELMNA
SCHEMBL18354859 0.92 CTSL (0.51) CTSLCTSBHCAR2ELANEATM
SCHEMBL18354912 0.92 CTSL (0.51) CTSLCTSBHCAR2ELANEATM
SCHEMBL18355134 0.89 HCAR2 (0.47) CTSLCTSBHCAR2ELANEATM
SCHEMBL18355455 0.89 HCAR2 (0.47) CTSLCTSBHCAR2ELANEATM
SCHEMBL18355332 0.89 CTSL (0.59) CTSLCTSBLGMNCASP1CASP3
SCHEMBL18355240 0.89 CTSL (0.59) CTSLCTSBLGMNCASP1CASP3
SCHEMBL18355328 0.84 MAPT (0.48) CTSLMAPTHCAR2MDM4LMNA

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CTSL 2900/4885CTSB 995/4885LGMN 1865/4885

“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.