SCHEMBL19630737

SCHEMBL19630737

CC(C)(C)OC(=O)Nc1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.51
CACNA1B Q00975 2/20 0.50
CACNA1C Q13936 2/20 0.50
CACNA1H O95180 1/20 0.50
DYRK1A Q13627 2/20 0.44
CSNK1D P48730 2/20 0.43
CACNA1G O43497 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL19630784 0.88 LCK (0.51) LCKCACNA1BCACNA1CCACNA1HDYRK1A
SCHEMBL19630738 0.88 LCK (0.51) LCKCACNA1BCACNA1CCACNA1H
SCHEMBL19631041 0.80 LCK (0.53) LCK
SCHEMBL30810269 0.80 LCK (0.44) LCKCACNA1BCACNA1CCACNA1HDYRK1A
SCHEMBL30810365 0.79 LCK (0.46) LCKCACNA1BCACNA1CCACNA1HDYRK1A
SCHEMBL19630789 0.75 LCK (0.52) LCK
SCHEMBL19630788 0.75 LCK (0.52) LCK
SCHEMBL19630817 0.74 LCK (0.54) LCKDYRK1A
SCHEMBL19631014 0.73 ALDH1A1 (0.44) LCKDYRK1ACSNK1D
SCHEMBL19631099 0.73 LCK (0.44) LCK

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
EP-3458454-B1 2-HYDROXY-N-(BENZO[D]THIAZOL-2-YL)BENZAMIDE DERIVATIVES AS MITOCHONDRIAL UNCOUPLERS FOR THE TREATMENT OF METABOLIC DISEASES AND CANCER UNIV RUTGERS (US) 2021-11-24 EP disclosed
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 US disclosed
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 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 (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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 LCK 1239/4885CACNA1B 3828/4885CACNA1C 2688/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 LCK 1003/4885CACNA1B 3740/4885CACNA1C 2898/4885

“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.