SCHEMBL709889

SCHEMBL709889

COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.64
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
ALOX15 P16050 1/20 0.61
APEX1 P27695 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
GAA P10253 1/20 0.57
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
GSK3B P49841 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL11137696 0.95 PLOD2 (0.58) PLOD2ALDH1A1LMNAALOX15APEX1
SCHEMBL5042668 0.87 ALDH1A1 (0.58) PLOD2ALDH1A1LMNAALOX15APEX1
SCHEMBL1699091 0.84 ALDH1A1 (0.68) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL22805972 0.84 PLOD2 (0.66) PLOD2ALDH1A1TDP1PLOD3PLOD1
SCHEMBL4587003 0.83 PLOD2 (0.60) PLOD2ALDH1A1PLOD3PLOD1NPC1
SCHEMBL6341239 0.83 ALDH1A1 (0.58) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL153386 0.83 ALDH1A1 (0.76) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL5266206 0.82 PDE4B (0.67) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL22130999 0.81 ALDH1A1 (0.73) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6483504 0.81 CES2 (0.56) PLOD2GAAPLOD3PLOD1HDAC3

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 88 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
US-4857475-A Labelled and labellable reagents for fluorometric assays Ekins, Roger Philip (GB) 1989-08-15 US claimed
US-4565790-A LANTHANIDE SERIES COMPLEX, B-DIKETONE, DETERGENT WALLAC OY (FI) 1986-01-21 US claimed
WO-2025002289-A1 PYRAZOLOHETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南九典制药股份有限公司 2025-01-02 WO disclosed
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
CN-118271261-A Dicarbonyl compound containing cyclobutane segment and synthesis method thereof 中国科学技术大学 2024-07-02 CN 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
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-6403629-B2 1-(P-(METHYLSULFONAMIDO)PHENYL)-3-TRIFLUOROMETHYL-5-PHENYLPYRA ZOLONE AND DERIVATIVES; ANTIINFLAMMATORY AGENTS J.B. CHEMICAL AND PHARMACEUTICALS LIMITED (IN) 2002-06-11 US disclosed
US-20010055776-A1 High throughput cell-based assay kits GREENWALT DALE (US) 2001-12-27 US disclosed
US-20010047023-A1 New Heterocyclic compounds for therapeutic use J.B. CHEMICALS & PHARMACEUTICALS LIMITED 2001-11-29 US disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
US-4556621-A Electrophotographic recording material containing a metal-1,3-diketone complex BASF AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0133469-A1 Electrophotographic recording materials with improved photosensitivity BASF Aktiengesellschaft (DE) 1985-02-27 EP disclosed
US-4176918-A Fluorescent liquid crystal display TEMPLE UNIVERSITY (US) 1979-12-04 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 (4 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 3454/4885ALDH1A1 2787/4885LMNA 4602/4885
US-20010047023-A1 New Heterocyclic compounds for therapeutic use AADAC, NAT1, FPR1 PLOD2 2358/4885ALDH1A1 1510/4885LMNA 3310/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS PLOD2 340/4885ALDH1A1 136/4885LMNA 1538/4885
US-20220127235-A1 A CONTINUOUS FLOW MICRO-TOTAL PROCESS SYTEM FOR PREPARATION OF CELCOXIB AND ANALOGS THEREOF PTGES2, PTGS2, P2RX2 PLOD2 2433/4885ALDH1A1 4668/4885LMNA 2830/4885

“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.