SCHEMBL964639

SCHEMBL964639

CC(C)(C)OC(=O)NC1CC(C(=O)O)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
CTSK P43235 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL960929 1.00 BTK (0.51) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL29285110 1.00 BTK (0.51) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL12500761 1.00 BTK (0.51) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL25568474 0.87 BTK (0.41) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL29365869 0.87 BTK (0.41) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL20599734 0.86 BTK (0.40) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL25573963 0.86 BTK (0.40) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL24031616 0.80 BTK (0.43) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL22907361 0.80 BTK (0.43) BTKNFKB1NFKB2RELAKMT2A
SCHEMBL19599991 0.80 BTK (0.43) BTKNFKB1NFKB2RELAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265711-A Chromanamidine monocyclic lactam antibiotics 默沙东有限责任公司 2024-06-28 CN disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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 (3 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS BTK 3478/4885NFKB1 1110/4885NFKB2 1232/4885
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL BTK 2331/4885NFKB1 732/4885NFKB2 1043/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 BTK 2559/4885NFKB1 671/4885NFKB2 1199/4885

“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.