SCHEMBL18355133

SCHEMBL18355133

COC(=O)/C=C/C(=O)OC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.61
CTSL P07711 6/20 0.55
TRPM8 Q7Z2W7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
HCAR2 Q8TDS4 1/20 0.49
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CYP3A4 P08684 1/20 0.47
SYK P43405 1/20 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
SCHEMBL18353012 0.95 CTRB1 (0.67) CTRB1CTSLTRPM8ALDH1A1ALOX15
SCHEMBL18352491 0.95 CTRB1 (0.67) CTRB1CTSLTRPM8ALDH1A1ALOX15
SCHEMBL18355339 0.90 CTRB1 (0.57) CTRB1CTSLTRPM8ALDH1A1ALOX15
SCHEMBL18352674 0.89 CTRB1 (0.50) CTRB1CTSLALDH1A1HCAR2CYP3A4
SCHEMBL18352495 0.89 CTRB1 (0.50) CTRB1CTSLALDH1A1HCAR2CYP3A4
SCHEMBL18355136 0.87 CTSL (0.44) CTRB1CTSLALDH1A1CTSKCTSB
SCHEMBL18355337 0.87 CYP1A2 (0.53) CTRB1CTSLHCAR2
SCHEMBL18364335 0.86 CTSL (0.48) CTRB1CTSLHCAR2
SCHEMBL18364431 0.86 CTSL (0.48) CTRB1CTSLHCAR2
SCHEMBL18352599 0.86 CTRB1 (0.51) CTRB1CTSLCTSBCYP3A4

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 CTRB1 2782/4885CTSL 2900/4885TRPM8 2089/4885

“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.