SCHEMBL17878137

SCHEMBL17878137

C[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.33
▸ CFTR P13569 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17868713 0.85 CFTR (0.32) CFTRMEN1KMT2A
SCHEMBL17878118 0.84 PARP1 (0.35) PARP1ALDH1A1HTTMEN1KMT2A
SCHEMBL17878119 0.84 PARP1 (0.35) PARP1ALDH1A1HTTMEN1KMT2A
SCHEMBL17878115 0.84 PARP1 (0.35) PARP1ALDH1A1HTTMEN1KMT2A
SCHEMBL17868691 0.84 PARP1 (0.35) PARP1ALDH1A1HTTMEN1KMT2A
SCHEMBL17868643 0.81 RBP4 (0.37) HTT
SCHEMBL17877360 0.78 PARP1 (0.35) PARP1CFTRMEN1KMT2A
SCHEMBL17868203 0.78 PARP1 (0.35) PARP1CFTRMEN1KMT2A
SCHEMBL17868204 0.78 PARP1 (0.35) PARP1CFTRMEN1KMT2A
SCHEMBL28970110 0.77 PARP1 (0.35) PARP1CFTRALDH1A1MEN1KMT2A

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 8 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-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-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
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 PARP1 3072/4885CFTR 1945/4885ALDH1A1 1370/4885
US-20170121328-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS PARP1 3072/4885CFTR 1945/4885ALDH1A1 1370/4885
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS PARP1 3072/4885CFTR 1945/4885ALDH1A1 1370/4885
US-10544141-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS PARP1 3072/4885CFTR 1945/4885ALDH1A1 1370/4885

“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.

Send feedback