SCHEMBL2760404

SCHEMBL2760404

CC1CCn2c(C(=O)c3ccccc3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.69
CDC42 P60953 3/20 0.69
RAC1 P63000 3/20 0.69
PTGS1 P23219 2/20 0.69
PAK1 Q13153 2/20 0.69
NPC1 O15118 1/20 0.69
CHRM3 P20309 1/20 0.69
OPRM1 P35372 1/20 0.69
RAB9A P51151 1/20 0.69
ABCC4 O15439 1/20 0.56
HTT P42858 1/20 0.56
BLM P54132 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CA4 P22748 5/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50

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
SCHEMBL29449412 0.83 PTGS2 (0.71) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL10024799 0.83 PTGS2 (0.71) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL12286244 0.82 PTGS2 (0.79) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL2739340 0.82 PTGS2 (0.66) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL23466702 0.82 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL14892 0.82 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL13653083 0.82 PTGS2 (0.69) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL4103 0.82 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Methane SCHEMBL29185931 0.82 PTGS2 (0.69) PTGS2CDC42RAC1PTGS1PAK1
Charcoal, Activated SCHEMBL30824313 0.82 PTGS2 (0.69) PTGS2CDC42RAC1PTGS1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-4238571-A1 APPLICATION OF THYMIDINE DERIVATIVE IN PREPARATION OF DRUGS OnQuality Pharmaceuticals China Ltd. (CN) 2023-09-06 EP disclosed
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 WO disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
WO-2021259060-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京海融医药科技股份有限公司 2021-12-30 WO disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20160136089-A1 UNIT DOSE FORMULATIONS OF KETOROLAC FOR INTRANASAL ADMINISTRATION EGALET US, INC. (US) 2016-05-19 US disclosed
US-8691869-B2 Pharmaceutical formulation of nitrooxyderivatives of NSAIDs NICOX S.A. (FR) 2014-04-08 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090042968-A1 THERAPEUTIC COMPOSITIONS FOR INTRANASAL ADMINISTRATION OF KETOROLAC ROXRO PHARMA, INC. 2009-02-12 US disclosed
EP-0821589-B1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2009-02-04 EP disclosed
WO-2009000723-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE NICOX S.A. (FR) 2008-12-31 WO disclosed
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 2008-11-06 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
EP-1427392-B1 NEW SELF EMULSIFYING DRUG DELIVERY SYSTEM NICOX SA (FR) 2008-02-20 EP disclosed
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2007-05-17 US disclosed
WO-2007012539-A2 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX S.A. (FR) 2007-02-01 WO disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 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 (6 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-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4A11, CYP4F11 PTGS2 403/4885CDC42 3972/4885RAC1 4687/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 PTGS2 12/4885CDC42 4615/4885RAC1 3860/4885
US-20090042968-A1 THERAPEUTIC COMPOSITIONS FOR INTRANASAL ADMINISTRATION OF KETOROLAC KCNN3, KCNQ3, STING1 PTGS2 1122/4885CDC42 4268/4885RAC1 3655/4885
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NOS2, NOS3, MB PTGS2 6/4885CDC42 3848/4885RAC1 2014/4885
US-20160136089-A1 UNIT DOSE FORMULATIONS OF KETOROLAC FOR INTRANASAL ADMINISTRATION ELAVL1, KCNQ3, LPXN PTGS2 808/4885CDC42 2985/4885RAC1 3062/4885
US-20070112194-A1 Process for preparing nitrooxyalkyl substituted esters of carboxylic acids, intermediates useful in said process and preparation thereof CYP2A13, CYP3A43, POR PTGS2 1142/4885CDC42 4285/4885RAC1 2684/4885

“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.