SCHEMBL4842368

SCHEMBL4842368

COc1ccc2c(c1)NC(=O)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.57
PDE7A Q13946 2/20 0.54
PDK2 Q15119 1/20 0.52
PDK4 Q16654 1/20 0.52
AKR1B1 P15121 2/20 0.51
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
OTUD7B Q6GQQ9 1/20 0.43
SRC P12931 1/20 0.43
LMNA P02545 1/20 0.42
MAOB P27338 2/20 0.42
MAPK14 Q16539 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL30642204 1.00 PGR (0.57) PGRPDE7APDK2PDK4AKR1B1
SCHEMBL2270260 0.86 PGR (0.70) PGRPDE7APDK2PDK4AKR1B1
SCHEMBL23928095 0.85 SNCA (0.50) PGRPDE7AAKR1B1ALDH1A1CA12
SCHEMBL28124724 0.83 PGR (0.46) PGRPDE7APDK2PDK4AKR1B1
SCHEMBL18719879 0.81 PDK2 (0.47) PGRPDE7APDK2PDK4AKR1B1
SCHEMBL10829190 0.81 PDK2 (0.47) PGRPDE7APDK2PDK4ALDH1A1
SCHEMBL10829230 0.81 MAOB (0.48) PGRPDK2PDK4ALDH1A1CA12
SCHEMBL9375577 0.80 PDK2 (0.46) PGRPDE7APDK2PDK4AKR1B1
SCHEMBL31191374 0.79 PDE7A (0.55) PGRPDE7AAKR1B1PDE3BPDE3A
SCHEMBL16896895 0.79 PGR (0.48) PGRPDE3BPDE3AALDH1A1CA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522591-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2025-03-19 EP disclosed
WO-2023220715-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-11-16 WO disclosed
WO-2023220715-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-11-16 WO disclosed
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 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 (1 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 PGR 4064/4885PDE7A 4188/4885PDK2 2833/4885

“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.