Sugi Predict

Sugi Predict / Compounds / SCHEMBL2277199

SCHEMBL2277199

SCHEMBL2277199

Cc1onc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 1.00
▸ PTGS1 P23219 11/20 1.00
▸ MT-CO2 P00403 3/20 0.69
▸ CA12 O43570 1/20 0.69
▸ CA1 P00915 1/20 0.69
▸ CA2 P00918 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ CA3 P07451 1/20 0.69
▸ ADRB2 P07550 1/20 0.69
▸ ADRB1 P08588 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ CHRM1 P11229 1/20 0.69
▸ ADRA2B P18089 1/20 0.69
▸ CA4 P22748 1/20 0.69
▸ CA6 P23280 1/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ PDE4A P27815 1/20 0.69
▸ ADORA1 P30542 1/20 0.69
▸ CA5A P35218 1/20 0.69

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
SCHEMBL25149515 0.93 PTGS2 (0.86) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5427092 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5428698 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5779294 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6245202 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4587731 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562098 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5694188 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
Sulfamide SCHEMBL4638912 0.89 PTGS2 (0.81) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4586525 0.89 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773270-B Synthesis method of 3- (5-methyl-4-phenylisoxazole-3-yl) benzenesulfonamide 四川新开元制药有限公司 2024-05-31 — — CN claimed
CN-221016070-U Stirring device for producing 5-methyl-3, 4-diphenyl isoxazole 济南兴鲁医药科技有限公司 2024-05-28 — — CN claimed
CN-115160249-B Preparation method of 5-methyl-3, 4-diphenyl isoxazole 济南立德医药技术有限公司 2024-04-02 — — CN claimed
CN-114441666-B Method for detecting impurities in 4- (5-methyl-3-phenyl-4-isoxazole) benzenesulfonyl chloride 成都百裕制药股份有限公司 2024-02-27 — — CN claimed
CN-116053579-A Low-temperature organic electrolyte taking isoxazole derivative as basic solvent and application thereof 山东阳谷华泰化工股份有限公司 2023-05-02 — — CN claimed
CN-218686485-U 5-methyl-3,4-diphenyl isoxazole experiment terminal recrystallization equipment 济南兴鲁医药科技有限公司 2023-03-24 — — CN claimed
CN-115304555-A Synthesis method of parecoxib sodium impurity 北京新康哌森医药科技有限公司 2022-11-08 — — CN claimed
CN-115160249-A Preparation method of 5-methyl-3, 4-diphenyl isoxazole 济南立德医药技术有限公司 2022-10-11 — — CN claimed
CN-114478421-A Preparation method of sodium N- [ [4- (5-methyl-3-phenyl-4-isoxazolyl) phenyl ] sulfonyl ] propionamide 上药东英（江苏）药业有限公司 2022-05-13 — — CN claimed
CN-114441666-A Method for detecting impurities in 4- (5-methyl-3-phenyl-4-isoxazole) benzenesulfonyl chloride 成都百裕制药股份有限公司 2022-05-06 — — CN claimed
CN-105859647-A Preparation method of cyclooxygenase-2 inhibitor parecoxib 王晓岳 2016-08-17 — — CN claimed
EP-2246337-B1 Isoxazole derivatives for use as cyclooxygenase inhibitors UNIV BARI (IT) 2011-12-21 — — EP claimed
EP-2246337-A1 Use of isoxazole derivatives as cyclooxygenase inhibitors Universita' degli Studi di Bari (IT) 2010-11-03 — — EP claimed
US-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-26 — — US claimed
CN-1805744-A New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates RICHTER GEDEON VEGYESZET (HU) 2006-07-19 — — CN claimed
EP-1643992-A2 NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2006-04-12 — — EP claimed
WO-2005007620-A2 NEW N-HYDROXY-4-(3-PHENYL-5-METHYL-ISOXAZOLE-4-YL)-BENZENESULFONAMIDE SOLVATES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-01-27 — — WO claimed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 — — EP claimed
US-4327222-A REACTING AN ARYL SUBSTITUTED KETONE WITH HYDROXYLAMINE TO FORM OXIME, THEN CYCLIZATION WITH BUTYLLITHIUM CDC LIFE SCIENCES INC. (CA) 1982-04-27 — — US claimed
EP-0026928-A1 3,4-Diarylisoxazol-5-acetic acid compounds, process for preparing the same, and pharmaceuticals containing the same CDC Life Sciences Inc. (CA) 1981-04-15 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates ADH1A, ADH1C, ADH5 PTGS2 154/4885PTGS1 21/4885MT-CO2 1354/4885

“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.