SCHEMBL2021441

SCHEMBL2021441

Cc1cccc(C)c1-c1cc(C=O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 7/20 0.36
ALDH1A3 P47895 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
MYC P01106 1/20 0.35
TSHR P16473 2/20 0.34
ERN1 O75460 1/20 0.34
UNG P13051 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL24027919 0.79 ALDH1A1 (0.50) CYP2A6ALDH1A1ALDH1A3BRD4MYC
SCHEMBL6856211 0.79 ALDH1A1 (0.46) CYP2A6ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL24028105 0.79 KIF11 (0.43) CYP2A6ALDH1A1ALDH1A3BRD4MYC
SCHEMBL12577983 0.78 RAB9A (0.53) RAB9A
SCHEMBL24027922 0.77 TYR (0.39) CYP2A6ALDH1A1ALDH1A3BRD4MYC
SCHEMBL2019514 0.77 ALDH1A1 (0.56) ALDH1A1ALDH1A3SMN1; SMN2TSHRKDM4E
SCHEMBL24027812 0.76 TSHR (0.39) CYP2A6ALDH1A1ALDH1A3BRD4TSHR
SCHEMBL30213045 0.75 DRD1 (0.51) ALDH1A1TSHRKDM4E
SCHEMBL24027830 0.75 DRD1 (0.51) ALDH1A1TSHRKDM4E
SCHEMBL336067 0.75 ALDH1A1 (0.47) PTGER4CYP2A6ALDH1A1ALDH1A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 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 (2 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 PTGER4 3518/4885CYP2A6 3343/4885ALDH1A1 210/4885
US-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 PTGER4 724/4885CYP2A6 3628/4885ALDH1A1 3249/4885

“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.