SCHEMBL1994723

SCHEMBL1994723

CC(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.46
CES1 P23141 7/20 0.46
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
BCHE P06276 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 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
SCHEMBL30313234 1.00 CES2 (0.46) CES2CES1PKMRXFP1THRB
SCHEMBL30933133 0.84 THRB (0.52) CES2CES1PKMRXFP1THRB
SCHEMBL3113530 0.84 CES2 (0.38) CES2CES1PKMRXFP1THRB
SCHEMBL697516 0.84 PKM (0.39) CES2CES1PKMRXFP1THRB
SCHEMBL1320844 0.84 THRB (0.52) CES2CES1PKMRXFP1THRB
SCHEMBL24445882 0.84 THRB (0.46) THRBKMT2AMEN1CYP3A4HPGD
SCHEMBL855460 0.82 THRB (0.42) CES2CES1PKMRXFP1THRB
SCHEMBL10325437 0.82 CES2 (0.37) CES2CES1PKMRXFP1THRB
SCHEMBL22905069 0.82 PKM (0.41) CES2CES1PKMRXFP1THRB
SCHEMBL23112090 0.82 CES2 (0.39) CES2CES1PKMRXFP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
EP-4605388-A1 <SUP2/>? <SUB2/>?3?2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CXCR1 Astrazeneca AB (SE) 2025-08-27 EP disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
WO-2024083933-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX 3CR1 ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
EP-3793988-B1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-11-15 EP disclosed
EP-3967696-A1 COMPOUND USED AS KINASE INHIBITOR AND APPLICATION THEREOF TYK Medicines Inc. (CN) 2022-03-16 EP disclosed
WO-2020224626-A1 COMPOUND USED AS KINASE INHIBITOR AND APPLICATION THEREOF 浙江同源康医药股份有限公司 2020-11-12 WO disclosed
EP-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
US-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 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 (7 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-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885PKM 593/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885PKM 593/4885
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 CES2 2972/4885CES1 2598/4885PKM 350/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 CES2 3829/4885CES1 4432/4885PKM 593/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CES2 4820/4885CES1 3698/4885PKM 817/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R CES2 1102/4885CES1 1451/4885PKM 3125/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 CES2 2057/4885CES1 1759/4885PKM 2525/4885

“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.