SCHEMBL4542475

SCHEMBL4542475

COc1ccc2c(c1)c(CC=O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.75
▸ PTGS1 P23219 5/20 0.75
▸ AKR1C3 P42330 3/20 0.75
▸ AKR1C2 P52895 2/20 0.75
▸ PPARG P37231 2/20 0.75
▸ ALOX5 P09917 2/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ PTGES O14684 1/20 0.75
▸ ABCC3 O15438 1/20 0.75
▸ ABCC4 O15439 1/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ MT-CO2 P00403 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ ALB P02768 1/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ ABCB1 P08183 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ CXCL8 P10145 1/20 0.75
▸ AR P10275 1/20 0.75

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
SCHEMBL17384911 0.91 AKR1C3 (0.74) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL23602328 0.90 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL4538160 0.90 PTGS2 (0.70) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL4535313 0.89 PTGS2 (0.71) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL15206529 0.89 PTGS2 (0.71) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL4538035 0.88 PTGS1 (0.83) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL860853 0.88 PTGS2 (0.80) PTGS2PTGS1AKR1C3AKR1C2PPARG
Indomethacin SCHEMBL8813964 0.87 PTGS2 (0.88) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL17385262 0.87 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL9040318 0.87 PTGS2 (0.78) PTGS2PTGS1AKR1C3AKR1C2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454502-B2 Synthesis of deuterated aldehydes ARIZONA BOARD OF REGENTS ON BEHALF OF ATHE UNIVERSITY OF ARIZONA (US) 2025-10-28 — — US disclosed
WO-2023010200-A1 THERAPEUTIC COORDINATION POLYMERS CONTAINING PHARMACEUTICALS FOR DRUG RELEASE APPLICATIONS UNIVERSITY OF WINDSOR (CA) 2023-02-09 — — WO disclosed
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-11-10 — — US disclosed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 — — US disclosed
WO-2021209563-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY RESPIRATORY SYNDROME-RELATED CORONAVIRUS SOM INNOVATION BIOTECH, S.A. (ES) 2021-10-21 — — WO disclosed
WO-2021045879-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-03-11 — — WO disclosed
WO-2021045879-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-03-11 — — WO disclosed
EP-3693022-A2 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2020-08-12 — — EP 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-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 — — US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — WO disclosed
US-7964738-B2 Pharmaceutical compositions and methods of use of lipophilic, silicon-substituted, cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs and derivatives SILAMED, INC. (US) 2011-06-21 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders IDENIX PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 — — EP disclosed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 — — US disclosed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 — — EP disclosed
US-4186133-A Process for the preparation of an indole-3-acetohydroxamic acid ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.P.A. (IT) 1980-01-29 — — 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-12454502-B2 Synthesis of deuterated aldehydes ADH1C, ADH1A, CBR1 PTGS2 1584/4885PTGS1 775/4885AKR1C3 148/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885
US-20220356139-A1 SYNTHESIS OF DEUTERATED ALDEHYDES ADH1C, ADH1A, CBR1 PTGS2 1584/4885PTGS1 775/4885AKR1C3 148/4885
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders NTPCR, PNP, TYMP PTGS2 4118/4885PTGS1 3870/4885AKR1C3 1657/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGS2 460/4885PTGS1 363/4885AKR1C3 970/4885

“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.

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