SCHEMBL923488

SCHEMBL923488

O=C(c1cccc([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
TSHR P16473 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
BLM P54132 1/20 0.54
LMNA P02545 1/20 0.53
ACHE P22303 1/20 0.51
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MLYCD O95822 1/20 0.51

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
SCHEMBL28515318 0.87 ALDH1A1 (0.63) CES2CES1TP53TSHRALDH1A1
SCHEMBL4657785 0.86 CES2 (0.70) CES2CES1TP53TSHRALDH1A1
SCHEMBL7944841 0.83 ALDH1A1 (0.67) CES2CES1TP53TSHRALDH1A1
SCHEMBL30755343 0.81 CES2 (0.59) CES2CES1TP53TSHRALDH1A1
SCHEMBL540105 0.81 CES2 (0.59) CES2CES1TP53TSHRALDH1A1
SCHEMBL18029679 0.81 PRSS1 (0.61) CES2CES1TP53TSHRALDH1A1
SCHEMBL3328194 0.80 CES2 (0.72) CES2CES1TP53TSHRALDH1A1
SCHEMBL11508685 0.80 CES2 (0.57) CES2CES1TP53TSHRALDH1A1
SCHEMBL181572 0.80 CES2 (0.78) CES2CES1TP53TSHRALDH1A1
SCHEMBL2156825 0.80 CES1 (1.00) CES2CES1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
JP-8268975-A None JP disclosed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP disclosed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME UNIV QUEENSLAND (AU) 2024-12-05 US disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
WO-1995027726-A1 10,11-C3-BRIDGED STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed
EP-0664811-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES. SCHERING AG (DE) 1995-08-02 EP disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 US disclosed
WO-1994009025-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
EP-0567472-A1 D-HOMO-(16-EN)-11 BETA-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed
WO-1992011279-A1 D-HOMO-(16-EN)-11β-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1992-07-09 WO disclosed
EP-0298020-B1 USE OF AN EPOXIDATION REAGENT, AND PROCESS FOR THE PREPARATION OF 5-ALPHA (10-ALPHA) EPOXY-DELTA 9(11) STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-24 EP disclosed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed
EP-0298020-A1 Use of an epoxidation reagent, and process for the preparation of 5-alpha (10-alpha) epoxy-delta 9(11) steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-01-04 EP 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 CES2 202/4885CES1 80/4885TP53 3015/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 CES2 2956/4885CES1 1068/4885TP53 1086/4885
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP CES2 2826/4885CES1 1159/4885TP53 2564/4885

“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.