SCHEMBL3211657

SCHEMBL3211657

CCOC(=O)C1(C(=O)OCC)CNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
OPRM1 P35372 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL22233748 0.98 POLB (0.46) POLBOPRM1ATMALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL18740356 0.87 POLB (0.39) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL24094554 0.84 OPRM1 (0.47) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL2811875 0.81 OPRM1 (0.42) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL1963692 0.80 BRD4 (0.47) POLBOPRM1ATMALDH1A1ALOX15
Hydrochloric Acid SCHEMBL25271505 0.78 BRD4 (0.46) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL2814112 0.78 OPRM1 (0.54) POLBOPRM1ALDH1A1ALOX15KDM4E
SCHEMBL18134201 0.78 ALDH1A1 (0.46) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL69496 0.78 ALDH1A1 (0.46) POLBOPRM1ATMALDH1A1ALOX15
SCHEMBL14010820 0.77 OPRM1 (0.42) POLBOPRM1ATMALOX15KDM4E

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
WO-2024263753-A1 SULFOXIMINE BASED STT3A/B MODULATORS FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2024-12-26 WO disclosed
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-26 US disclosed
WO-2021102314-A1 TRPV4 RECEPTOR LIGANDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-05-27 WO disclosed
WO-2017063755-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-04-20 WO disclosed
WO-2017063756-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS POLYPHOR AG (CH) 2017-04-20 WO disclosed
WO-2017063754-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS POLYPHOR AG (CH) 2017-04-20 WO disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 WO disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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 (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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 POLB 4135/4885OPRM1 1840/4885ATM 2939/4885
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS TRPV4, TRPV2, TRPV3 POLB 4847/4885OPRM1 212/4885ATM 4206/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS POLB 3791/4885OPRM1 2285/4885ATM 3098/4885

“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.