SCHEMBL583455

SCHEMBL583455

O=C(CC(=O)C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.70
PLOD3 O60568 2/20 0.62
PLOD1 Q02809 2/20 0.62
GSK3B P49841 3/20 0.53
HAO1 Q9UJM8 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
OGG1 O15527 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL1095373 0.82 PLOD2 (0.72) PLOD2PLOD3PLOD1MAPTRECQL
SCHEMBL711849 0.82 PLOD2 (1.00) PLOD2PLOD3PLOD1CES2CES1
SCHEMBL4599442 0.82 PLOD2 (0.49) PLOD2PLOD3PLOD1GSK3BHAO1
SCHEMBL1305020 0.81 GSK3B (0.70) GSK3BHAO1HDAC1HDAC8HDAC3
SCHEMBL28425950 0.81 HAO1 (0.56) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL313164 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1GSK3BHDAC1
SCHEMBL1593867 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1GSK3BHDAC1
SCHEMBL5798569 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1GSK3BCES1
SCHEMBL584065 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1GSK3BCES2
SCHEMBL5272209 0.80 HDAC1 (0.54) PLOD2GSK3BHDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917908-B1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL SCIENT IND RES (IN) 2024-08-14 EP claimed
US-11802112-B2 Continuous flow micro-total process system for preparation of celecoxib and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-10-31 US claimed
US-20220127235-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYTEM FOR PREPARATION OF CELCOXIB AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-04-28 US claimed
EP-3917908-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF Council of Scientific & Industrial Research (IN) 2021-12-08 EP claimed
WO-2020157771-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-08-06 WO claimed
EP-2417216-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION Inbio Prof. Jürgen Büddefeld Dr. Peter Klauth Prof. Manfred Rietz Gbr (DE) 2012-02-15 EP claimed
WO-2010115503-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JÜRGEN BÜDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ GBR (DE) 2010-10-14 WO claimed
EP-3917908-B1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYSTEM FOR PREPARATION OF CELECOXIB AND ANALOGS THEREOF COUNCIL SCIENT IND RES (IN) 2024-08-14 EP disclosed
US-20240033363-A1 ALC1 Inhibitors and Synergy with PARPi EISBACH BIO GMBH (DE) 2024-02-01 US disclosed
US-11802112-B2 Continuous flow micro-total process system for preparation of celecoxib and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-10-31 US disclosed
EP-4255910-A1 ALC1 INHIBITORS AND SYNERGY WITH PARPI Eisbach Bio GmbH (DE) 2023-10-11 EP disclosed
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1104759-A1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1104760-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1104758-A1 Acetylene derivatives as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO 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 (5 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-11802112-B2 Continuous flow micro-total process system for preparation of celecoxib and analogs thereof PTGES2, PTGS2, CYP2J2 PLOD2 3454/4885PLOD3 4085/4885PLOD1 4033/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885PLOD3 3490/4885PLOD1 4213/4885
US-20240033363-A1 ALC1 Inhibitors and Synergy with PARPi PARP11, PARP1, BRCA1 PLOD2 4236/4885PLOD3 3844/4885PLOD1 3841/4885
US-20220127235-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYTEM FOR PREPARATION OF CELCOXIB AND ANALOGS THEREOF PTGES2, PTGS2, P2RX2 PLOD2 2433/4885PLOD3 3324/4885PLOD1 3726/4885
US-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 PLOD2 4018/4885PLOD3 1847/4885PLOD1 4329/4885

“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.