SCHEMBL1162997

SCHEMBL1162997

CC(=O)OC1(NC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
P2RX7 Q99572 1/20 0.34
CTSL P07711 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
APLNR P35414 1/20 0.31
CA1 P00915 1/20 0.31
CTSK P43235 2/20 0.31

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
SCHEMBL28367798 0.98 BTK (0.35) BTKGAAMEN1MAPK1KMT2A
SCHEMBL27575292 0.95 BTK (0.36) BTKGAAMEN1MAPK1KMT2A
SCHEMBL14908805 0.91 MEN1 (0.37) BTKGAAMEN1MAPK1KMT2A
SCHEMBL27795461 0.84 KMT2A (0.33) BTKGAAMEN1MAPK1KMT2A
SCHEMBL29069892 0.82 BTK (0.31) BTKMEN1MAPK1KMT2ACTSL
SCHEMBL27564556 0.81 CA12 (0.34) BTKGAAMEN1MAPK1KMT2A
SCHEMBL2333417 0.81 BTK (0.36) BTKGAAMEN1MAPK1KMT2A
SCHEMBL29069727 0.81 BTK (0.36) BTKGAAMEN1MAPK1KMT2A
SCHEMBL9936616 0.81 BTK (0.36) BTKGAAMEN1MAPK1KMT2A
SCHEMBL6245659 0.81 GAA (0.33) BTKGAAMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 CN disclosed
CN-114681443-B Nitrile-containing antiviral compounds 辉瑞大药厂 2024-05-10 CN disclosed
US-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2024-04-18 US disclosed
EP-4286384-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ShanghaiTech University (CN) 2023-12-06 EP disclosed
CN-114835709-A Aza-ergoline derivative and preparation method and application thereof 上海科技大学 2022-08-02 CN disclosed
CN-114681443-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-07-01 CN disclosed
CN-114466838-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-05-10 CN disclosed
CN-110769821-A Spirocyclic indolines as IL-17 modulators UCB生物制药私人有限公司 2020-02-07 CN disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 WO disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-0471280-B1 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIV LJUBLJANI (YU) 1996-11-06 EP disclosed
US-5231216-A Trans-2-acylaminocyclohexyloxyacyldipeptides in the form of mixtures of diastereoisomers thereof and in the form of pure diasteredisomers, process for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANA (YU) 1993-07-27 US disclosed
EP-0471280-A2 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-02-19 EP 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 BTK 3920/4885GAA 34/4885MEN1 2620/4885
US-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ERG, CHRNA7, CHRNA5 BTK 4786/4885GAA 2231/4885MEN1 1366/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 BTK 3272/4885GAA 1822/4885MEN1 2784/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 BTK 2790/4885GAA 3209/4885MEN1 3381/4885

“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.