SCHEMBL3321801

SCHEMBL3321801

NCCOCCOCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25712795 1.00 CES2 (0.31) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL2639316 1.00 CES2 (0.31) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL5786379 1.00 CES2 (0.31) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL3378003 0.95
Hydrochloric Acid SCHEMBL18245677 0.92 LMNA (0.32) CES2ALDH1A1TP53HSD17B10
SCHEMBL22296985 0.91 CES2 (0.42) CES2TSHR
SCHEMBL6668639 0.89 CES2 (0.36) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL22325195 0.89 CES2 (0.36) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL30661132 0.89 CES2 (0.36) CES2ALDH1A1TP53TSHRHIF1A
SCHEMBL6712841 0.89 CES2 (0.36) CES2ALDH1A1TP53TSHRHIF1A

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025128794-A1 FATTY ACID CONJUGATED CYCLIC PEPTIDES NEUROCRINE BIOSCIENCES, INC. (US) 2025-06-19 WO claimed
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-28 US claimed
US-20200190157-A1 FATTY ACID MODIFIED HUMAN EPIDERMAL GROWTH FACTOR SAINT LOUIS UNIVERSITY (US) 2020-06-18 US claimed
WO-2019023295-A1 FATTY ACID MODIFIED HUMAN EPIDERMAL GROWTH FACTOR SAINT LOUIS UNIVERSITY (US) 2019-01-31 WO claimed
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US claimed
US-20170226080-A1 PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2017-08-10 US claimed
EP-3177603-A1 PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS Merck Patent GmbH (DE) 2017-06-14 EP claimed
WO-2016020031-A1 PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-02-11 WO claimed
EP-1578424-A4 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2007-08-08 EP claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 US claimed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 EP claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 US claimed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 WO claimed
US-12496350-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain OHIO STATE INNOVATION FOUNDATION (US) 2025-12-16 US disclosed
WO-2025128794-A1 FATTY ACID CONJUGATED CYCLIC PEPTIDES NEUROCRINE BIOSCIENCES, INC. (US) 2025-06-19 WO disclosed
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2025-06-17 US disclosed
US-20060138083-A1 Patterning and alteration of molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-29 US disclosed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 EP disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 US disclosed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 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 (7 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-20170226080-A1 PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS METAP1, METAP2, DNPEP CES2 1977/4885ALDH1A1 1138/4885TP53 766/4885
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 CES2 467/4885ALDH1A1 806/4885TP53 4850/4885
US-20200190157-A1 FATTY ACID MODIFIED HUMAN EPIDERMAL GROWTH FACTOR FABP2, FGFR2, FGF2 CES2 3360/4885ALDH1A1 3662/4885TP53 4821/4885
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 CES2 2886/4885ALDH1A1 4851/4885TP53 1632/4885
US-12496350-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN CES2 1945/4885ALDH1A1 4242/4885TP53 980/4885
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 CES2 467/4885ALDH1A1 806/4885TP53 4850/4885
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 CES2 1524/4885ALDH1A1 1061/4885TP53 53/4885

“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.