SCHEMBL4537894

SCHEMBL4537894

CCC(=O)NS(=O)(=O)c1ccccc1-c1c(-c2ccccc2)noc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.72
NR4A2 P43354 1/20 0.72
MT-CO2 P00403 3/20 0.53
PTGS1 P23219 4/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CA3 P07451 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA1 P30542 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
SCHEMBL29577826 1.00 PTGS2 (0.72) PTGS2NR4A2MT-CO2PTGS1CA12
SCHEMBL28646419 0.92 PTGS2 (0.71) PTGS2NR4A2MT-CO2PTGS1CA12
SCHEMBL28646416 0.84 PTGS2 (1.00) PTGS2NR4A2MT-CO2PTGS1CA12
Parecoxib SCHEMBL29561416 0.84 PTGS2 (1.00) PTGS2NR4A2MT-CO2PTGS1CA12
Parecoxib SCHEMBL9529 0.84 PTGS2 (1.00) PTGS2NR4A2MT-CO2PTGS1CA12
SCHEMBL6896328 0.84 PTGS2 (0.72) PTGS2NR4A2MT-CO2PTGS1CA12
Parecoxib SCHEMBL5709079 0.83 PTGS2 (0.98) PTGS2NR4A2MT-CO2PTGS1CA12
Parecoxib SCHEMBL28381051 0.83 PTGS2 (0.98) PTGS2NR4A2MT-CO2PTGS1CA12
Parecoxib SCHEMBL117193 0.83 PTGS2 (0.98) PTGS2NR4A2MT-CO2PTGS1CA12
SCHEMBL31213508 0.82 PTGS2 (0.80) PTGS2NR4A2MT-CO2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027079-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM IP INC (US) 2026-01-29 US disclosed
CN-118831076-A Cannabinoid acid ester compositions and uses thereof EPM (IP)公司 2024-10-25 CN disclosed
CN-113840598-B Cannabinoid acid ester compositions and uses thereof EPM (IP)公司 2024-07-05 CN disclosed
US-20220151972-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM (IP), INC. 2022-05-19 US disclosed
EP-3937925-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM (IP), Inc. (US) 2022-01-19 EP disclosed
CN-113840598-A Cannabinoid acid ester compositions and uses thereof EPM (IP)公司 2021-12-24 CN disclosed
WO-2020186010-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM GROUP, INC. (US) 2020-09-17 WO disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-7094903-B2 Processes for the preparation of substituted isoxazoles and 2-isoxazolines ONCONOVA THERAPEUTICS, INC. (US) 2006-08-22 US disclosed
US-20050182113-A1 Method for preparing diaryl-substituted isoxazole compounds DR. REDDY'S LABORATORIES LTD. (IN) 2005-08-18 US disclosed
EP-1550658-A1 Method for preparing 3,4-diphenyl-substituted isoxazole compounds Dr. Reddy's Laboratories Ltd. (IN) 2005-07-06 EP disclosed
US-20050143583-A1 Processes for the preparation of substituted isoxazoles and 2-isoxazolines ONCONOVA THERAPEUTICS, INC. (US) 2005-06-30 US disclosed
US-6809204-B2 HETEROCYCLIC NITROGEN COMPPOUNDS SUCH AS 4-(5-METHYL-3-PHENYL-ISOXAZOL-1-YL)BENZENESULFONAMIDE, USED AS NON-STEROIDAL ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS; CYCLOOXYGENASE INHIBITORS ONCONOVA THERAPEUTICS, INC. 2004-10-26 US disclosed
US-20030162813-A1 Processes for the preparation of substituted isoxazoles and 2-isoxazolines ONCONOVA THERAPEUTICS, INC. 2003-08-28 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 (7 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 PTGS2 29/4885NR4A2 3088/4885MT-CO2 755/4885
US-20050182113-A1 Method for preparing diaryl-substituted isoxazole compounds CYP2C9, CYP3A7, CYP3A5 PTGS2 75/4885NR4A2 4607/4885MT-CO2 430/4885
US-20050143583-A1 Processes for the preparation of substituted isoxazoles and 2-isoxazolines F9, HAX1, CYP4X1 PTGS2 3680/4885NR4A2 3306/4885MT-CO2 679/4885
US-20220151972-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF CNR2, CNR1, FAAH PTGS2 2331/4885NR4A2 1941/4885MT-CO2 1570/4885
US-20030162813-A1 Processes for the preparation of substituted isoxazoles and 2-isoxazolines CYP4X1, HAX1, CYCS PTGS2 3107/4885NR4A2 2490/4885MT-CO2 213/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 PTGS2 29/4885NR4A2 3088/4885MT-CO2 755/4885
US-20260027079-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF CNR2, CNR1, FAAH PTGS2 2555/4885NR4A2 1123/4885MT-CO2 1776/4885

“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.