SCHEMBL3833965

SCHEMBL3833965

CCC(CC(N)=O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.54
CA1 P00915 5/20 0.54
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.34
ALOX15 P16050 2/20 0.31
ECE1 P42892 1/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 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
SCHEMBL18737 0.83
SCHEMBL293079 0.83 CA1 (0.39) CA2CA1USP2ALOX15ECE1
SCHEMBL19192783 0.82 CA2 (0.41) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL4756185 0.82 SLC1A3 (0.52) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL4756180 0.82 SLC1A3 (0.52) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL16683908 0.82 SLC1A3 (0.52) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL27806629 0.81 CA1 (0.42) CA2CA1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL530588 0.80
SCHEMBL28601320 0.80 CA1 (0.37) CA2CA1USP2ALOX15LMNA
SCHEMBL3178200 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101591298-A Contain 1, hydroxamic acid derivatives, the Preparation Method And The Use of 3-two assorted five-membered ring fused benzenes TIANJIN INST PHARM RESEARCH (CN) 2009-12-02 CN claimed
US-20260108617-A1 AUTO-TUNING DRUG REGULATOR CONSTRUCTIONS RETHINK64 BIONETWORKS PBC (US) 2026-04-23 US disclosed
WO-2024155707-A1 AUTO-TUNING DRUG REGULATOR CONSTRUCTIONS RETHINK64 BIONETWORKS PBC (US) 2024-07-25 WO disclosed
CN-111526891-B Pharmaceutical raw material or pharmaceutical additive and pharmaceutical raw material or pharmaceutical using the same 三洋化成工业株式会社 2023-10-20 CN disclosed
CN-116874440-A Synthesis and application of isoxazoline-containing derivative 贵州大学 2023-10-13 CN disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-2102148-B1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2015-09-16 EP disclosed
EP-2802631-A1 REVERSIBLE THERMOCHROMIC AND PHOTOCHROMIC INK PENS AND MARKERS Chromatic Technologies, Inc. (US) 2014-11-19 EP disclosed
WO-2013106420-A1 REVERSIBLE THERMOCHROMIC AND PHOTOCHROMIC INK PENS AND MARKERS CHROMATIC TECHNOLOGIES, INC. (US) 2013-07-18 WO disclosed
CN-101591298-A Contain 1, hydroxamic acid derivatives, the Preparation Method And The Use of 3-two assorted five-membered ring fused benzenes TIANJIN INST PHARM RESEARCH (CN) 2009-12-02 CN disclosed
EP-2102148-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF Rhodia Opérations (FR) 2009-09-23 EP disclosed
WO-2008074837-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2008-06-26 WO disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO 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 (1 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-20260108617-A1 AUTO-TUNING DRUG REGULATOR CONSTRUCTIONS TPMT, CYP2D6, ACHE CA2 1324/4885CA1 2228/4885SLC1A3 2787/4885

“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.