SCHEMBL3511291

SCHEMBL3511291

Cc1cc(C#N)cc(COC(=O)C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
GLA P06280 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
BRCA1 P38398 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 1/20 0.36
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
FFAR1 O14842 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL6797990 0.83 KDM4E (0.39) KDM4EGLAKMT2AMEN1MAPT
SCHEMBL10139066 0.81 ALDH1A1 (0.39) KDM4EGLAKMT2AMEN1MAPT
SCHEMBL3511150 0.79 PSD (0.34) KDM4EGLAKMT2AMEN1MAPT
SCHEMBL1425100 0.71 GRM5 (0.38) KDM4EKMT2AMEN1GRM5TSHR
SCHEMBL17490785 0.71 GRM5 (0.38) KDM4EKMT2AMEN1GRM5TSHR
SCHEMBL1425076 0.69 GRM5 (0.39) KDM4EKMT2AMEN1GRM5TSHR
SCHEMBL18506604 0.68 KDM4E (0.39) KDM4EKMT2AMEN1GRM5TSHR
SCHEMBL3090392 0.67 KDM4E (0.50) KDM4EGLAKMT2AMAPTCYP1A2
SCHEMBL18517735 0.66 CTSK (0.47) HPGD
SCHEMBL1179216 0.66 KDM4E (0.45) KDM4EKMT2AMEN1GRM5TSHR

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-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 KDM4E 1534/4885GLA 32/4885KMT2A 2623/4885

“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.