SCHEMBL2787151

SCHEMBL2787151

CC(C)(C)OC(=O)NCc1cccc(CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 10/20 0.58
HDAC1 Q13547 1/20 0.48
KDM4A O75164 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
BRD4 O60885 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CREBBP Q92793 1/20 0.46
IDO1 P14902 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL14986954 0.87 GLS (0.57) GLSKDM4ACA12CA1CA7
SCHEMBL8786913 0.87 GLS (0.57) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL28211519 0.86 GLS (0.62) GLSKDM4ABRD4CREBBP
SCHEMBL16384818 0.86 GLS (0.46) GLSCA12CA1CA7CA14
SCHEMBL5729298 0.86 GLS (0.54) GLSHDAC1KDM4ACA12CA1
SCHEMBL14987233 0.86 GLS (0.50) GLSCA1CYP1A2CYP2C19IDO1
SCHEMBL185365 0.86 ATM (0.55) GLSHDAC1KDM4ACA12CA1
SCHEMBL16181822 0.85 GLS (0.55) GLSHDAC1KDM4ACA12CA1
SCHEMBL30069429 0.85 GLS (0.55) GLSHDAC1KDM4ACA12CA1
SCHEMBL8342682 0.85 GLS (0.55) GLSHDAC1KDM4ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116368131-B Novel Smad3 protein degradation agent and application thereof 和径医药科技(上海)有限公司 2024-09-20 CN disclosed
CN-116368131-A Novel Smad3 protein degradation agent and application thereof 和径医药科技(上海)有限公司 2023-06-30 CN disclosed
CN-116253724-A Novel Smad3 protein degradation agent and application thereof 和径医药科技(上海)有限公司 2023-06-13 CN disclosed
WO-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 WO disclosed
WO-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 WO disclosed
CN-108785305-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2021-10-29 CN disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 EP disclosed
CN-104220070-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2020-01-21 CN disclosed
US-8604016-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2013-12-10 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 US disclosed
EP-0386839-B1 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME (GB) 1997-01-15 EP disclosed
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 US disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 EP disclosed
US-4159373-A 7-Acyl-3-(sulfonic acid and sulfamoyl substituted tetrazolyl thiomethyl) cephalosporins SMITHKLINE CORPORATION (US) 1979-06-26 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 (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-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885HDAC1 1329/4885KDM4A 954/4885
US-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB GLS 422/4885HDAC1 3077/4885KDM4A 2446/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HDAC1 1329/4885KDM4A 954/4885

“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.