SCHEMBL997830

SCHEMBL997830

CN(C[C@@H](C(=O)O)N1CCCCC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM33 Q9BZ11 7/20 0.57
ADAMTS4 O75173 1/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ADAM17 P78536 1/20 0.47
KEAP1 Q14145 1/20 0.46
CXCR4 P61073 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL997831 1.00 ADAM33 (0.57) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL2680436 0.91 ADAM33 (0.57) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL996437 0.90 ADAM33 (0.69) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL996438 0.90 ADAM33 (0.69) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL997159 0.89 ADAM17 (0.60) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL997161 0.89 ADAM17 (0.60) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL27853846 0.81 ADAM17 (0.59) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL998048 0.80 ADAM17 (0.71) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL998050 0.80 ADAM17 (0.71) ADAM33ADAMTS4MMP2MMP13MMP14
SCHEMBL998393 0.79 ADAM33 (0.83) ADAM33ADAMTS4MMP2MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448931-B1 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine GALDERMA RES & DEV (FR) 2015-05-27 EP disclosed
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
EP-2448931-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2012-05-09 EP disclosed
WO-2011001088-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 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 ADAM33 3905/4885ADAMTS4 3648/4885MMP2 3249/4885

“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.