SCHEMBL18405737

SCHEMBL18405737

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.43
▸ CTSS P25774 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ CA2 P00918 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ MMP1 P03956 1/20 0.39

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
SCHEMBL18406920 0.95 CTSL (0.46) CTSLCTSSSLC1A3SLC1A2SLC1A1
SCHEMBL18406925 0.95 CTSL (0.46) CTSLCTSSSLC1A3SLC1A2SLC1A1
SCHEMBL18405704 0.92 CTSL (0.44) CTSLCTSSPIN1CA2CA12
SCHEMBL18405713 0.88 CA12 (0.44) CTSLCTSSPIN1CA2CA12
SCHEMBL18405734 0.88 CTSL (0.45) CTSLCTSSPIN1CA2CA12
SCHEMBL18406919 0.88 CTSL (0.46) CTSLCTSSPIN1CA2CA12
SCHEMBL18406928 0.88 CTSL (0.46) CTSLCTSSPIN1CA2CA12
SCHEMBL18405733 0.87 CTSL (0.41) CTSLCTSSPIN1CA2CA12
SCHEMBL18405666 0.86 MEN1 (0.51) SLC1A3SLC1A2SLC1A1CA2CA12
SCHEMBL18405738 0.86 CTSL (0.59) CTSLCTSSPIN1CA2CA7

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 1115/4885SLC1A3 1984/4885

“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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