SCHEMBL618886

SCHEMBL618886

Cc1cc(C)c2c(c1)NC(=O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.47
BCHE P06276 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ROS1 P08922 1/20 0.38
CDK5 Q00535 1/20 0.38
ACVR1 Q04771 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL8873254 0.94 CES1 (0.42) CES1BCHECA12CA1CA2
SCHEMBL8872975 0.83 MEN1 (0.38) CES1BCHECA12CA1CA2
SCHEMBL8872978 0.83 MEN1 (0.38) CES1BCHECA12CA1CA2
SCHEMBL8569668 0.82 CES1 (0.66) CES1BCHELRRK2PDE3BPDE3A
SCHEMBL8873153 0.81 MEN1 (0.42) CES1BCHECA12CA1CA2
SCHEMBL8873148 0.81 MEN1 (0.42) CES1BCHECA12CA1CA2
SCHEMBL31353351 0.80 ALDH1A1 (0.53) CES1BCHECA12CA1CA2
SCHEMBL31353326 0.80 CES1 (0.49) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL8573750 0.80 CES1 (0.69) CES1BCHECSNK1G1ALDH1A1ALDH2
SCHEMBL8873953 0.79 MEN1 (0.41) CES1BCHECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-9981976-B2 Piperidine substituted pyrazolo[1,5-A]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-05-29 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
CN-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 CN disclosed
WO-2000010975-A1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-03-02 WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
US-4436810-A Color-photographic recording material containing non-diffusing electron donor precursor compounds AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-03-13 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 (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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CES1 1174/4885BCHE 3364/4885CA12 4215/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CES1 1174/4885BCHE 3364/4885CA12 4215/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CES1 1174/4885BCHE 3364/4885CA12 4215/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CES1 1174/4885BCHE 3364/4885CA12 4215/4885
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) ZC3HAV1, RRP15, PIR CES1 3299/4885BCHE 4382/4885CA12 4882/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CES1 1069/4885BCHE 3486/4885CA12 4193/4885

“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.