SCHEMBL18405734

SCHEMBL18405734

COC(=O)/C=C/C(=O)OCC(Cc1ccccc1)NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.45
▸ CTSS P25774 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PRKCG P05129 1/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ PRKCH P24723 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CTRB1 P17538 1/20 0.38

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
SCHEMBL18406922 0.96 CTSL (0.47) CTSLCTSSPOLBPRKCGPRKCB
SCHEMBL18406929 0.96 CTSL (0.47) CTSLCTSSPOLBPRKCGPRKCB
SCHEMBL18405704 0.89 CTSL (0.44) CTSLCTSSPOLBPIN1CA12
SCHEMBL18405737 0.88 CTSL (0.43) CTSLCTSSPOLBPIN1CA12
SCHEMBL18405738 0.88 CTSL (0.59) CTSLCTSSPRKCGPRKCBPRKCA
SCHEMBL18405715 0.88 CTSL (0.43) CTSLCTSSPOLBPIN1CA12
SCHEMBL18405721 0.87 CTSL (0.43) CTSLCTSSPOLBPIN1CA12
SCHEMBL18405713 0.86 CA12 (0.44) CTSLCTSSPOLBPRKCGPRKCB
SCHEMBL18405733 0.85 CTSL (0.41) CTSLCTSSPOLBPIN1CA12
SCHEMBL18406928 0.85 CTSL (0.46) CTSLCTSSPOLBPIN1CA12

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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — 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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CTSL 2900/4885CTSS 1115/4885POLB 471/4885

“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.

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