SCHEMBL489054

SCHEMBL489054

CCC(=O)C(C=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
BLM P54132 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11505232 0.76
SCHEMBL12497824 0.76 FFAR3 (0.33) FFAR3TDP1CHRM1AKR1A1CHRM3
SCHEMBL4031782 0.74
SCHEMBL1162335 0.70
SCHEMBL13253147 0.70 PKM (0.35) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15509038 0.69
SCHEMBL28133002 0.69
SCHEMBL2991290 0.69
SCHEMBL13668427 0.68 TDP1 (0.44) FFAR3TDP1CHRM1AKR1A1CHRM3
SCHEMBL4934185 0.67 FFAR3 (0.44) FFAR3TDP1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2023-03-16 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
EP-3953332-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 Therapeutics, Inc. (US) 2022-02-16 EP disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
US-RE47301-E1 Process for preparing an A2A-adenosine receptor agonist and its polymorphs GILEAD SCIENCES, INC. (US) 2019-03-19 US disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 US disclosed
EP-3368524-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2018-09-05 EP disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 WO disclosed
US-20100267953-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD PALO ALTO, INC. 2010-10-21 US disclosed
US-20100179313-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD PALO ALTO, INC. 2010-07-15 US disclosed
US-7732595-B2 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD PALO ALTO, INC. (US) 2010-06-08 US disclosed
EP-2158208-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV Therapeutics Inc. (US) 2010-03-03 EP disclosed
US-7671192-B2 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD PALO ALTO, INC. (US) 2010-03-02 US disclosed
WO-2008143667-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-27 WO disclosed
EP-1989214-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
US-20070265445-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD SCIENCES, INC. 2007-11-15 US disclosed
US-20070225247-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD SCIENCES, INC. 2007-09-27 US disclosed
WO-2007092372-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2007-08-16 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 (8 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-20070265445-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress ADORA2A, ADORA3, ADORA2B FFAR3 266/4885TDP1 1450/4885CHRM1 195/4885
US-20100267953-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS ADORA2A, ADORA3, ADORA2B FFAR3 334/4885TDP1 2182/4885CHRM1 86/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 FFAR3 4807/4885TDP1 1207/4885CHRM1 4604/4885
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS CRBN, IKZF1, IKZF3 FFAR3 4807/4885TDP1 1207/4885CHRM1 4604/4885
US-20100179313-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS ADORA2A, ADORA3, ADORA2B FFAR3 334/4885TDP1 2182/4885CHRM1 86/4885
US-20070225247-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress ADORA2A, ADORA3, ADORA2B FFAR3 266/4885TDP1 1450/4885CHRM1 195/4885
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 FFAR3 293/4885TDP1 3407/4885CHRM1 1185/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 FFAR3 293/4885TDP1 3407/4885CHRM1 1185/4885

“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.