SCHEMBL1503616

SCHEMBL1503616

CC(NC(=O)OC(C)(C)C)C(C(=O)O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSD P07339 1/20 0.38
CTSS P25774 1/20 0.38
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
CA1 P00915 1/20 0.37

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 0.87 CTSK (0.43) CTSKCTSLCTSBKMT2ATSHR
SCHEMBL1503591 0.86 CTSK (0.42) CTSKCTSLCTSBKMT2ATSHR
SCHEMBL9937144 0.81 SMN1; SMN2 (0.45) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL1504589 0.81 CA1 (0.41) CTSKCTSLCTSBALDH1A1KMT2A
SCHEMBL2096750 0.81 CTSK (0.45) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL1504675 0.80 PREP (0.37) CTSKCTSLCTSBMAPTKMT2A
SCHEMBL24549797 0.76 SMN1; SMN2 (0.51) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL18289778 0.76 SMN1; SMN2 (0.51) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL3820779 0.75 CTSK (0.47) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL1504753 0.74 POLB (0.47) CTSLCYP3A4ALDH1A1KMT2ATSHR

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 956/4885SMN1; SMN2 3276/4885USP2 1732/4885

“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.