SCHEMBL960929

SCHEMBL960929

CC(C)(C)OC(=O)N[C@@H]1C[C@H](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
SCHEMBL964639 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2024-03-19 US disclosed
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 EP disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US 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 (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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM BTK 88/4885NFKB1 1604/4885NFKB2 2316/4885
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB BTK 2986/4885NFKB1 53/4885NFKB2 469/4885
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS BTK 3478/4885NFKB1 1110/4885NFKB2 1232/4885
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 BTK 39/4885NFKB1 1276/4885NFKB2 1975/4885
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, ELANE BTK 39/4885NFKB1 770/4885NFKB2 1075/4885

“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.