SCHEMBL17868650

SCHEMBL17868650

CC(C)(O)c1n[nH]c2c1CN(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.43
EP300 Q09472 11/20 0.43
BRD4 O60885 3/20 0.43
MAPK1 P28482 1/20 0.41
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP9 Q86TI2 1/20 0.38
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1006514 0.84 DPP4 (0.50) CREBBPEP300BRD4MAPK1DPP4
SCHEMBL17868704 0.84 ESR2 (0.41) CREBBPEP300BRD4MAPK1
SCHEMBL5645375 0.82 DPP4 (0.52) CREBBPEP300BRD4MAPK1DPP4
SCHEMBL4761723 0.79 CREBBP (0.47) CREBBPEP300BRD4MAPK1CYP2C19
SCHEMBL20818349 0.79 CREBBP (0.44) CREBBPEP300BRD4MAPK1CYP2C19
SCHEMBL17878047 0.79 BRD4 (0.52) CREBBPEP300BRD4
SCHEMBL21240871 0.78 CREBBP (0.53) CREBBPEP300BRD4MAPK1
SCHEMBL5953472 0.76 HCAR2 (0.56) CREBBPEP300BRD4MAPK1
SCHEMBL17785675 0.76 CREBBP (0.47) CREBBPEP300BRD4MAPK1CYP2C19
SCHEMBL17785865 0.76 CREBBP (0.44) CREBBPEP300BRD4MAPK1CYP2C19

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
US-10544141-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-01-28 US disclosed
US-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-03-14 US disclosed
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9518057-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (4 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-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885EP300 406/4885BRD4 1214/4885
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885EP300 406/4885BRD4 1214/4885
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885EP300 406/4885BRD4 1214/4885
US-10544141-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS CREBBP 134/4885EP300 406/4885BRD4 1214/4885

“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.