SCHEMBL1503591

SCHEMBL1503591

CC(NC(=O)OC(C)(C)C)C(C(=O)O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.42
CTSL P07711 4/20 0.42
CTSB P07858 2/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PREP P48147 1/20 0.38
CTSS P25774 5/20 0.37
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL2681100 0.98 CTSK (0.43) CTSKCTSLCTSBCA1CA2
SCHEMBL1503616 0.86 CTSK (0.45) CTSKCTSLCTSBCA1CA2
SCHEMBL1504589 0.83 CA1 (0.41) CTSKCTSLCTSBCA1CA2
SCHEMBL18857996 0.83 CTSK (0.41) CTSKCTSLCTSBCA1CA2
SCHEMBL1504675 0.82 PREP (0.37) CTSKCTSLCTSBCA1CA2
SCHEMBL29286947 0.80 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL8624859 0.78 CTSK (0.48) CTSKCTSLCTSBCA1CA2
SCHEMBL10592724 0.78 CTSK (0.48) CTSKCTSLCTSBCA1CA2
SCHEMBL1504753 0.77 POLB (0.47) CTSLCYP2D6KMT2AMEN1TSHR
Cyclopentane SCHEMBL28225777 0.74 KMT2A (0.48) CTSKCTSLCTSBCA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772478-B2 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-08 US disclosed
US-20120116072-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPEMENT (FR) 2012-05-10 US disclosed
WO-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO 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-20120116072-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS TYR, ARSA, STS CTSK 956/4885CTSL 3659/4885CTSB 1075/4885

“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.