SCHEMBL18411620

SCHEMBL18411620

CC(C)(C)S(=O)(=O)N[C@H](COC(=O)/C=C/C(=O)OC[C@H](CCc1ccccc1)NS(=O)(=O)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.41
▸ CTSS P25774 1/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.40
▸ PIN1 Q13526 1/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CTSB P07858 2/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL18406930 0.93 CTSL (0.45) CTSLCTSSHCAR2PIN1AKR1B10
SCHEMBL18406913 0.93 CTSL (0.45) CTSLCTSSHCAR2PIN1AKR1B10
SCHEMBL18405721 0.90 CTSL (0.43) CTSLCTSSHCAR2PIN1ALDH1A1
SCHEMBL18406922 0.80 CTSL (0.47) CTSLCTSSHCAR2PIN1CYP3A4
SCHEMBL18406929 0.80 CTSL (0.47) CTSLCTSSHCAR2PIN1CYP3A4
SCHEMBL18406924 0.80 CTSL (0.43) CTSLCTSSHCAR2PIN1ALDH1A1
SCHEMBL18406918 0.80 CTSL (0.43) CTSLCTSSHCAR2PIN1ALDH1A1
SCHEMBL18411617 0.79 CTSL (0.38) CTSLCTSSHCAR2PIN1ALDH1A1
SCHEMBL18406919 0.79 CTSL (0.46) CTSLCTSSHCAR2PIN1POLB
SCHEMBL18406928 0.79 CTSL (0.46) CTSLCTSSHCAR2PIN1POLB

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-20170022153-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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CTSL 2900/4885CTSS 1115/4885HCAR2 290/4885

“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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