SCHEMBL3544067

SCHEMBL3544067

CCOC(=O)C(=CN(C)C)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
ALOX12 P18054 2/20 0.44
ATM Q13315 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
XPO1 O14980 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL11376363 1.00 CES2 (0.51) CES2ALDH1A1NPSR1GAAMAPT
SCHEMBL31618675 0.93 CES2 (0.49) CES2ALDH1A1NPSR1GAAMAPT
SCHEMBL31618475 0.93 CES2 (0.49) CES2ALDH1A1NPSR1GAAMAPT
SCHEMBL11372277 0.88 CES2 (0.46) CES2ALDH1A1NPSR1MAPTPOLB
SCHEMBL3408555 0.85 NPSR1 (0.55) CES2NPSR1MAPTPOLB
SCHEMBL3408557 0.85 NPSR1 (0.55) CES2NPSR1MAPTPOLB
SCHEMBL3822858 0.84 CES2 (0.47) CES2ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3822857 0.84 CES2 (0.47) CES2ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4173911 0.83 CES2 (0.65) CES2ALDH1A1NPSR1GAAMAPT
SCHEMBL5478416 0.83 MEN1 (0.46) ALDH1A1NPSR1MAPTATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652310-A The cephem compounds of 2 substitutions 葛兰素集团有限公司 2018-02-02 CN disclosed
CN-104884460-B 2-substituted Cephem compounds 葛兰素集团有限公司 2017-11-03 CN disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-4245106-A IN THE PRESENCE OF ACETIC ACID MONSANTO COMPANY (US) 1981-01-13 US disclosed
US-4116673-A HERBICIDES MONSANTO COMPANY (US) 1978-09-26 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 CES2 738/4885ALDH1A1 86/4885NPSR1 1201/4885

“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.