SCHEMBL18406921

SCHEMBL18406921

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 1/20 0.46
▸ PIN1 Q13526 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSB P07858 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
SCHEMBL18406914 1.00 CTSL (0.46) CTSLCTSSPIN1CA12CA2
SCHEMBL18405715 0.96 CTSL (0.43) CTSLCTSSPIN1CA12CA2
SCHEMBL18406929 0.87 CTSL (0.47) CTSLCTSSPIN1CA12CA2
SCHEMBL18406922 0.87 CTSL (0.47) CTSLCTSSPIN1CA12CA2
SCHEMBL18406919 0.86 CTSL (0.46) CTSLCTSSPIN1CA12CA2
SCHEMBL18406928 0.86 CTSL (0.46) CTSLCTSSPIN1CA12CA2
SCHEMBL18405713 0.84 CA12 (0.44) CTSLCTSSPIN1CA12CA2
SCHEMBL18406918 0.84 CTSL (0.43) CTSLCTSSPIN1CA12CA2
SCHEMBL18406924 0.84 CTSL (0.43) CTSLCTSSPIN1CA12CA2
SCHEMBL18405734 0.84 CTSL (0.45) CTSLCTSSPIN1CA12CA2

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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
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 1115/4885PIN1 120/4885

“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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