SCHEMBL17868640

SCHEMBL17868640

CC(C)(C)c1nn(C(C)(C)C)c2c1CN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.33
CREBBP Q92793 3/20 0.31
MTHFD2 P13995 1/20 0.31
CNR2 P34972 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL17868585 0.87 SPTLC1 (0.33) SPTLC1CREBBP
SCHEMBL17868657 0.84 MTHFD2 (0.34) SPTLC1CREBBPMTHFD2BRD4
SCHEMBL17868683 0.80 MTHFD2 (0.31) MTHFD2
SCHEMBL17870542 0.78 MTHFD2 (0.30) CREBBPMTHFD2BRD4
SCHEMBL17868675 0.78 MTHFD2 (0.30) MTHFD2
SCHEMBL17868666 0.78 CREBBP (0.33) CREBBPCNR2BRD4
SCHEMBL20525248 0.77 CREBBP (0.32) SPTLC1CREBBPMTHFD2BRD4
SCHEMBL17870546 0.77 BRD4 (0.30) CREBBPBRD4
SCHEMBL17868725 0.77 CREBBP (0.32) SPTLC1CREBBPBRD4
SCHEMBL17868624 0.76 RORC (0.31) CREBBPBRD4

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 6 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-10093669-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-10-09 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 (5 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 SPTLC1 3466/4885CREBBP 134/4885MTHFD2 2465/4885
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS SPTLC1 3466/4885CREBBP 134/4885MTHFD2 2465/4885
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS SPTLC1 3466/4885CREBBP 134/4885MTHFD2 2465/4885
US-10544141-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS SPTLC1 3466/4885CREBBP 134/4885MTHFD2 2465/4885
US-10093669-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS SPTLC1 3466/4885CREBBP 134/4885MTHFD2 2465/4885

“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.