SCHEMBL2754403

SCHEMBL2754403

CC(C)(C)OC(=O)N1CCn2cccc2C1c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
BRD4 O60885 3/20 0.39
BRDT Q58F21 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL1266321 0.83 BRD4 (0.46) ALDH1A1BRD4BRDTKDM4EMAPT
SCHEMBL1266330 0.82 ADRA2C (0.41) ALDH1A1BRD4BRDTKDM4EMAPT
SCHEMBL2753245 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1267529 0.79 BRD4 (0.49) ALDH1A1BRD4BRDTKDM4EMAPT
SCHEMBL930604 0.78 SHMT2 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1265987 0.76 ALDH1A1 (0.43) ALDH1A1BRD4KDM4EMAPTMEN1
SCHEMBL1266337 0.76 MAPT (0.43) ALDH1A1BRD4KDM4EMAPTMEN1
SCHEMBL1266850 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1266653 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1266071 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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 (2 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885BRD4 634/4885BRDT 2901/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A ALDH1A1 1731/4885BRD4 1808/4885BRDT 2656/4885

“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.