SCHEMBL18364335

SCHEMBL18364335

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTRB1 P17538 7/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN9A Q15858 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PAM P19021 1/20 0.44
ACACB O00763 1/20 0.44
TACR1 P25103 1/20 0.43
PIN1 Q13526 1/20 0.43

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
SCHEMBL18364431 1.00 CTSL (0.48) CTSLCTRB1CA12CA1CA2
SCHEMBL18374813 0.88 CTSL (0.50) CTSLCTRB1PIN1HCAR2
SCHEMBL18374812 0.88 CTSL (0.50) CTSLCTRB1PIN1HCAR2
SCHEMBL18364315 0.87 CTSL (0.46) CTSLCTRB1PIN1HCAR2
SCHEMBL18364435 0.87 CTSL (0.46) CTSLCTRB1PIN1HCAR2
SCHEMBL18352674 0.86 CTRB1 (0.50) CTSLCTRB1PIN1HCAR2
SCHEMBL18352495 0.86 CTRB1 (0.50) CTSLCTRB1PIN1HCAR2
SCHEMBL18355133 0.86 CTRB1 (0.61) CTSLCTRB1HCAR2
SCHEMBL18364333 0.86 CTSL (0.45) CTSLCTRB1PIN1HCAR2
SCHEMBL18364400 0.86 CTSL (0.45) CTSLCTRB1PIN1HCAR2

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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CTSL 2900/4885CTRB1 2782/4885CA12 1851/4885

“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.