SCHEMBL2988884

SCHEMBL2988884

CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.62
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CTSK P43235 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD11B1 P28845 4/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
DRD2 P14416 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.40
JAK1 P23458 1/20 0.39

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
SCHEMBL14261646 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL14261648 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL14270420 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL13337688 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL14270414 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL22334237 1.00 BTK (0.62) BTKKDM1AMAOBCTSKCA1
SCHEMBL573239 0.91 BTK (0.55) BTKKDM1AMAOBCTSKCA1
SCHEMBL573238 0.91 BTK (0.55) BTKKDM1AMAOBCTSKCA1
SCHEMBL5473239 0.91 BTK (0.55) BTKKDM1AMAOBCTSKCA1
SCHEMBL29366241 0.90 BTK (0.77) BTKKDM1AMAOBCTSKCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151594-A1 FUSED AZINES AS RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-07-17 WO disclosed
CN-110092726-B Synthesis method of Bictegravir intermediate 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2022-04-08 CN disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
WO-2019144912-A1 β-LACTAMASE INHIBITOR AND USE THEREOF 苏州信诺维医药科技有限公司 2019-08-01 WO disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20080076783-A1 Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists MERCK & CO., INC. (US) 2008-03-27 US disclosed
US-20080076783-A1 Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists MERCK & CO., INC. (US) 2008-03-27 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 BTK 39/4885KDM1A 334/4885MAOB 2103/4885
US-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 BTK 3009/4885KDM1A 2951/4885MAOB 198/4885
US-20080076783-A1 Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 BTK 4766/4885KDM1A 1021/4885MAOB 1274/4885

“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.