Sugi Predict

Sugi Predict / Compounds / SCHEMBL2890808

SCHEMBL2890808

SCHEMBL2890808

CCOC(=O)c1cn[nH]c(=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ JMJD6 Q6NYC1 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL3979828 0.81 ATM (0.49) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL1578888 0.76 CYP2C9 (0.49) CYP2C19CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL369224 0.75 NAMPT (0.51) CYP2C19CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL15290578 0.75 CYP2C9 (0.48) CYP2C19CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL277284 0.74 CYP2C19 (0.86) CYP2C19CYP2C9ALDH1A1KMT2ACA12
Methyl Alcohol SCHEMBL29259257 0.74 NAMPT (0.50) CYP2C19CYP2C9ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9679507 0.73 CYP2C19 (0.83) CYP2C19CYP2C9ALDH1A1KMT2ACA12
SCHEMBL2805091 0.72 PTGS1 (0.46) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL562951 0.72 MEN1 (0.65) CYP2C19CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL145658 0.72 CTNNB1 (0.60) CYP2C19CYP2C9ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 — — US disclosed
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 — — US disclosed
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof TENAYA THERAPEUTICS, INC. (US) 2023-02-14 — — US disclosed
EP-4076448-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-10-26 — — EP disclosed
CN-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 — — CN disclosed
WO-2021127643-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
WO-2021127643-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
EP-3191491-B1 PYRIDAZINONE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-04 — — EP disclosed
US-9745308-B2 Pyridazinone derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2017-08-29 — — US disclosed
EP-3191491-A1 PYRIDAZINONE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2017-07-19 — — EP disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 — — US disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 — — 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 (5 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 CYP2C19 3912/4885CYP2C9 4101/4885ALDH1A1 4350/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 CYP2C19 607/4885CYP2C9 830/4885ALDH1A1 500/4885
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof HDAC6, HDAC1, HDAC3 CYP2C19 2927/4885CYP2C9 3897/4885ALDH1A1 134/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 CYP2C19 3904/4885CYP2C9 3920/4885ALDH1A1 4603/4885
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF HDAC6, HDAC1, HDAC3 CYP2C19 4139/4885CYP2C9 4517/4885ALDH1A1 184/4885

“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.