SCHEMBL4101161

SCHEMBL4101161

O=C1COCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.51
CTSL P07711 2/20 0.49
CTSK P43235 2/20 0.49
CTSS P25774 1/20 0.49
CTSB P07858 1/20 0.49
TLR4 O00206 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
NAAA Q02083 4/20 0.46
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL28445826 0.91 ALDH1A1 (0.48) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL359650 0.86 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL29134391 0.84 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL78362 0.84 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL382338 0.84 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL2617393 0.84 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL25531048 0.82 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL30986294 0.82 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL758357 0.81 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL29248505 0.81 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
EP-4122935-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
EP-3608325-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2022-07-06 EP disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 US disclosed
CN-114364664-A BCAT modulation 伊卡根有限责任公司 2022-04-15 CN disclosed
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
WO-2013007765-A1 FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2013007765-A1 FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 WO disclosed
US-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-08 US disclosed
EP-1812416-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-01 EP disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 WO disclosed
WO-2006040178-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 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 (6 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885GAA 3919/4885TSHR 3581/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885GAA 3919/4885TSHR 3581/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885GAA 3919/4885TSHR 3581/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 ALDH1A1 924/4885GAA 3313/4885TSHR 3549/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885GAA 3919/4885TSHR 3581/4885
US-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ADRB3, SLC6A3, NR3C2 ALDH1A1 1085/4885GAA 3884/4885TSHR 18/4885

“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.