Sugi Predict

Sugi Predict / Compounds / SCHEMBL1889231

SCHEMBL1889231

SCHEMBL1889231

O=C(O)CCOc1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.56
▸ FFAR4 Q5NUL3 2/20 0.56
▸ NR4A2 P43354 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ LTB4R2 Q9NPC1 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL29757228 1.00 FFAR1 (0.56) FFAR1FFAR4NR4A2L3MBTL1MEN1
SCHEMBL3175199 0.92 FFAR4 (0.66) FFAR1FFAR4NR4A2MEN1ALDH1A1
SCHEMBL1008501 0.89 FFAR1 (0.60) FFAR1FFAR4NR4A2PPARAPDK2
SCHEMBL1431527 0.82 LMNA (0.64) FFAR1NR4A2MEN1ALDH1A1HPGD
SCHEMBL1350610 0.82 MCL1 (0.56) FFAR1FFAR4L3MBTL1TSHRLMNA
SCHEMBL4426248 0.82 NR4A2 (0.70) FFAR1NR4A2MAOB
Bicarbonate SCHEMBL10444314 0.81 KMT2A (0.64) NR4A2MEN1ALDH1A1HPGDKMT2A
SCHEMBL10082820 0.81 ALDH1A1 (0.57) FFAR1FFAR4L3MBTL1ALDH1A1KMT2A
SCHEMBL19168859 0.81 CHRNB2 (0.56) FFAR1L3MBTL1TSHRMCL1
SCHEMBL15546230 0.80 FFAR1 (0.52) FFAR1FFAR4NR4A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-07 — — US disclosed
EP-4404935-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme LLC (US) 2024-07-31 — — EP disclosed
WO-2023049060-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2023-03-30 — — WO disclosed
CN-112079826-B Steroid synthetase inhibitor and treatment application thereof 广州中医药大学(广州中医药研究院) 2022-07-29 — — CN disclosed
WO-2022057142-A1 STEROID SYNTHETASE INHIBITORS AND THERAPEUTIC USE THEREOF 广州中医药大学(广州中医药研究院) 2022-03-24 — — WO disclosed
CN-112079826-A Steroid synthetase inhibitor and treatment application thereof 广州中医药大学(广州中医药研究院) 2020-12-15 — — CN disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 — — US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 — — US disclosed
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 — — EP disclosed
EP-1723105-B1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2013-05-15 — — EP disclosed
WO-2006066756-A1 CHROMAN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
WO-2006066746-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 — — EP disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 — — EP disclosed
WO-2005092854-A1 BICYCLIC SUBSTITUTED INDOLE-DERIVATIVE STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — US disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — WO disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — WO disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 — — US disclosed
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 — — 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 (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-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR FFAR1 2935/4885FFAR4 1853/4885NR4A2 2062/4885
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 FFAR1 175/4885FFAR4 421/4885NR4A2 606/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR FFAR1 2154/4885FFAR4 1685/4885NR4A2 84/4885

“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.