SCHEMBL16763340

SCHEMBL16763340

CC(C)(C)OC(=O)NC(c1ccccc1)c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47
CTSK P43235 3/20 0.47
CTSS P25774 1/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 2/20 0.43
LMNA P02545 1/20 0.43
S1PR3 Q99500 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATM Q13315 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
SCHEMBL16763339 1.00 GABRB1 (0.47) GABRB1GABRB2CTSKCTSSALDH1A1
SCHEMBL14820895 0.87 CTSK (0.57) GABRB1GABRB2CTSKCTSSALDH1A1
SCHEMBL15783776 0.85 CTSK (0.48) GABRB1GABRB2CTSKCTSSGAA
SCHEMBL320557 0.85 CTSK (0.48) GABRB1GABRB2CTSKCTSSALDH1A1
SCHEMBL14240829 0.85 CTSK (0.48) GABRB1GABRB2CTSKCTSSGAA
SCHEMBL505937 0.85 CTSK (0.48) GABRB1GABRB2CTSKCTSSALDH1A1
SCHEMBL15783777 0.85 CTSK (0.48) GABRB1GABRB2CTSKCTSSGAA
SCHEMBL16791251 0.84 HPGDS (0.49) GABRB1GABRB2CTSKCTSSLMNA
SCHEMBL8183661 0.82 HPGDS (0.50) CTSKCTSSPPARGPPARAATM
SCHEMBL321824 0.82 KCNK3 (0.48) GABRB1GABRB2CTSKCTSSALDH1A1

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-3077386-B1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-09-06 EP disclosed
EP-3077386-A1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES Chiesi Farmaceutici S.p.A. (IT) 2016-10-12 EP disclosed
US-9145409-B2 Benzhydryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-29 US disclosed
WO-2015082619-A1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 WO disclosed
US-20150158857-A1 BENZHYDRYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 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 (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-20150158857-A1 BENZHYDRYL DERIVATIVES PDE4A, PDE4B, PDE3A GABRB1 866/4885GABRB2 933/4885CTSK 2017/4885

“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.