SCHEMBL18355285

SCHEMBL18355285

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
HCAR2 Q8TDS4 1/20 0.52
ATM Q13315 1/20 0.51
CTSK P43235 2/20 0.49
ELANE P08246 1/20 0.48
CTRB1 P17538 2/20 0.48
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
CTSS P25774 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL18354927 1.00 CTSL (0.53) CTSLHCAR2ATMCTSKELANE
SCHEMBL18352692 0.96 HCAR2 (0.56) CTSLHCAR2ATMCTSKELANE
SCHEMBL18353172 0.96 HCAR2 (0.56) CTSLHCAR2ATMCTSKELANE
SCHEMBL18355332 0.91 CTSL (0.59) CTSLHCAR2ATMCTSKELANE
SCHEMBL18355240 0.91 CTSL (0.59) CTSLHCAR2ATMCTSKELANE
SCHEMBL18355123 0.90 HCAR2 (0.50) CTSLHCAR2ATMCTSKELANE
SCHEMBL18354891 0.90 HCAR2 (0.50) CTSLHCAR2ATMCTSKELANE
SCHEMBL18354912 0.89 CTSL (0.51) CTSLHCAR2ATMCTSKELANE
SCHEMBL18354859 0.89 CTSL (0.51) CTSLHCAR2ATMCTSKELANE
SCHEMBL18355133 0.86 CTRB1 (0.61) CTSLHCAR2CTSKCTRB1CYP3A4

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 2900/4885HCAR2 290/4885ATM 4406/4885

“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.