SCHEMBL536000

SCHEMBL536000

CS(=O)(=O)c1ccccc1[C]=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
BCAT2 O15382 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ADRA1A P35348 1/20 0.36
LOX P28300 1/20 0.35
POLB P06746 2/20 0.34
DRD2 P14416 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20503841 0.84 BAZ2B (0.42) PTGS2ALDH1A1HTTBCAT2POLB
SCHEMBL514821 0.80 ALDH1A1 (0.63) PTGS2ALDH1A1HTTPOLBHSD11B1
SCHEMBL29890659 0.80 PTGS2 (0.41) PTGS2ALDH1A1HTTBCAT2CA12
SCHEMBL18297463 0.80 PTGS2 (0.41) PTGS2ALDH1A1HTTBCAT2CA12
SCHEMBL5995711 0.77 ELANE (0.45) ALDH1A1HTTCA12CA2CA9
SCHEMBL5501971 0.77 CA2 (0.60) ALDH1A1HTTCA12CA2CA9
SCHEMBL998537 0.77 MYC (0.41) ALDH1A1HTTCA12CA2CA9
SCHEMBL15166880 0.77 ALDH1A1 (0.41) ALDH1A1HTTCA12CA2CA9
SCHEMBL8106699 0.77 LOX (0.47) PTGS2ALDH1A1HTTBCAT2CA12
SCHEMBL10474864 0.77 ALDH1A1 (0.38) ALDH1A1HTTCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520410-A The synthetic method of mesotrione GHARDA CHEMICALS LTD 2019-11-29 CN claimed
EP-1115390-B1 HYDROXAMATE-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2009-07-22 EP claimed
EP-1417170-A1 BENZOYLCYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-05-12 EP claimed
WO-2003014071-A1 BENZOYLCYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-02-20 WO claimed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 EP claimed
US-20240108638-A1 METHODS AND RELATED COMPOSITIONS FOR REDUCTION OF FAT AND SKIN TIGHTENING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-04-04 US disclosed
EP-3692995-A1 DEOXYCHOLATE FOR REDUCTION OF FAT Lundquist Institute for Biomedical Innovation at Harbor-UCLA Medical Center (US) 2020-08-12 EP disclosed
EP-2380576-B1 Use of sodium deoxycholate for the non-surgical removal of fat LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2020-04-08 EP disclosed
CN-110520410-A The synthetic method of mesotrione GHARDA CHEMICALS LTD 2019-11-29 CN disclosed
CN-110520410-A The synthetic method of mesotrione GHARDA CHEMICALS LTD 2019-11-29 CN disclosed
EP-0294647-A2 Thiadiazinones MERCK PATENT GmbH (DE) 1988-12-14 EP disclosed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 EP disclosed
US-4256752-A ANTIHISTAMINES, ANTISECRETORY AGENTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-17 US disclosed