SCHEMBL1503589

SCHEMBL1503589

COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.39
CTSL P07711 3/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
SYK P43405 1/20 0.36
SERPINE1 P05121 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10079851 1.00 L3MBTL1 (0.39) L3MBTL1EPHX1CTSLCA12CA14
SCHEMBL2681098 0.99 L3MBTL1 (0.40) L3MBTL1EPHX1CTSLCA12CA14
SCHEMBL997414 0.87 MEN1 (0.44) L3MBTL1EPHX1CTSLMEN1KMT2A
SCHEMBL996955 0.87 MEN1 (0.44) L3MBTL1EPHX1CTSLMEN1KMT2A
SCHEMBL996956 0.87 MEN1 (0.44) L3MBTL1EPHX1CTSLMEN1KMT2A
SCHEMBL10313032 0.86 MEN1 (0.36) L3MBTL1CTSLCA12CA14MEN1
SCHEMBL1503615 0.86 USP2 (0.41) L3MBTL1CTSLMEN1KMT2AALDH1A1
SCHEMBL18449931 0.86 MEN1 (0.36) L3MBTL1CTSLCA12CA14MEN1
SCHEMBL997131 0.85 MEN1 (0.45) L3MBTL1EPHX1CTSLMEN1KMT2A
SCHEMBL997132 0.85 MEN1 (0.45) L3MBTL1EPHX1CTSLMEN1KMT2A

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 L3MBTL1 4551/4885EPHX1 1090/4885CTSL 3659/4885

“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.