SCHEMBL4055310

SCHEMBL4055310

CCOC(=O)CC(=O)c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
HDAC1 Q13547 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
DAO P14920 1/20 0.44
ELANE P08246 2/20 0.43
TSHR P16473 2/20 0.42
HSD11B1 P28845 1/20 0.42
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2820405 0.85 CES2 (0.44) KDM4EMEN1ALDH1A1KMT2ACES2
SCHEMBL4446977 0.84 CES2 (0.50) KDM4EMEN1ALDH1A1KMT2ACES2
SCHEMBL1694609 0.84 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1KMT2ACES2
SCHEMBL22721318 0.80 CES1 (0.62) KDM4EMEN1KMT2ACES2CES1
SCHEMBL8336530 0.79 CES2 (0.48) ALDH1A1CES2CES1HDAC1LCK
SCHEMBL7871362 0.79 KAT6A (0.48) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL827404 0.79 ELANE (0.53) KDM4EMEN1ALDH1A1KMT2ACES2
SCHEMBL5161520 0.79 CES2 (0.44) CES2CES1HDAC1LCKFYN
SCHEMBL5160681 0.79 DPP4 (0.45) ALDH1A1CES2CES1HDAC1LCK
SCHEMBL7606942 0.78 MEN1 (0.46) KDM4EMEN1ALDH1A1KMT2ACES2

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
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
US-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2025-08-05 US disclosed
US-20240059657-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS OrsoBio Inc. 2024-02-22 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 US disclosed
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2023-04-04 US disclosed
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
US-5459271-A Arylbicyclooctanes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-10-17 US disclosed
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1995003309-A1 ARYLBICYCLOOCTANES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 WO disclosed
WO-1995003300-A1 HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 WO disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed
US-4728647-A Amides derived from quinoline, and anxiolytic compositions containing them RHONE-POULENC SANTE (FR) 1988-03-01 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 (5 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-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 KDM4E 1040/4885MEN1 1478/4885ALDH1A1 370/4885
US-20240059657-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, ACMSD, AMD1 KDM4E 1040/4885MEN1 1478/4885ALDH1A1 370/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KDM4E 2493/4885MEN1 4409/4885ALDH1A1 195/4885
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 KDM4E 1040/4885MEN1 1478/4885ALDH1A1 370/4885
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 KDM4E 894/4885MEN1 4597/4885ALDH1A1 647/4885

“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.