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Sugi Predict / Compounds / SCHEMBL402398

SCHEMBL402398

SCHEMBL402398

O=C(O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADH5 P11766 1/20 0.58
▸ AKR1C3 P42330 4/20 0.57
▸ AKR1C2 P52895 4/20 0.57
▸ SRD5A2 P31213 1/20 0.54
▸ PTPRC P08575 2/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ FFAR2 O15552 1/20 0.48
▸ TTR P02766 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PDK2 Q15119 2/20 0.46
▸ KMO O15229 1/20 0.46
▸ CYP2C8 P10632 1/20 0.45

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
SCHEMBL23302210 0.91 ADH5 (0.63) ADH5AKR1C3AKR1C2SRD5A2EPHX2
SCHEMBL27702486 0.90 AKR1C3 (0.50) ADH5AKR1C3AKR1C2SRD5A2S1PR1
Hydrochloric Acid SCHEMBL28670680 0.90 ADH5 (0.61) ADH5AKR1C3AKR1C2SRD5A2EPHX2
SCHEMBL336261 0.87 ADH5 (0.54) ADH5AKR1C3AKR1C2SRD5A2PTPRC
SCHEMBL8437529 0.87 ADH5 (0.59) ADH5AKR1C3AKR1C2SRD5A2CYP2C8
SCHEMBL403135 0.87 AKR1C3 (0.55) ADH5AKR1C3AKR1C2SRD5A2S1PR1
SCHEMBL17133900 0.87 AKR1C3 (0.60) ADH5AKR1C3AKR1C2SRD5A2S1PR1
SCHEMBL272324 0.86 PTPRC (0.54) ADH5AKR1C3AKR1C2SRD5A2PTPRC
SCHEMBL21941770 0.86 PDK2 (0.49) ADH5AKR1C3AKR1C2PTPRCTTR
SCHEMBL2535397 0.86 AKR1C3 (0.57) ADH5AKR1C3AKR1C2SRD5A2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 — — CN claimed
CN-102356068-A 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2012-02-15 — — CN claimed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 — — CN disclosed
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 — — CN disclosed
CN-117279895-A (hetero) arylamide compound and pest control agent 日本曹达株式会社 2023-12-22 — — CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 — — CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 — — US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 — — US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 — — US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 — — US disclosed
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 — — CN disclosed
CN-101184739-A Polycyclic * diazoles and iso- * azoles and their use as ligands for the S1P receptor NOVARTIS AG (CH) 2008-05-21 — — CN disclosed
WO-2008037476-A1 OXADIAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE PROPERTIES NOVARTIS AG (CH) 2008-04-03 — — WO disclosed
EP-1893591-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS Novartis AG (CH) 2008-03-05 — — EP disclosed
CN-1960969-A Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI (US) 2007-05-09 — — CN disclosed
WO-2006131336-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-12-14 — — WO disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP disclosed
CN-1556788-A Muscarinic agonists — 2004-12-22 — — CN disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — 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 (4 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ADH5 909/4885AKR1C3 999/4885AKR1C2 979/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 ADH5 909/4885AKR1C3 999/4885AKR1C2 979/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 ADH5 487/4885AKR1C3 1064/4885AKR1C2 1060/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ADH5 909/4885AKR1C3 999/4885AKR1C2 979/4885

“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.