SCHEMBL2579411

SCHEMBL2579411

O=C(O)c1ccc(F)c(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAP2K1 Q02750 2/20 0.45
MGAM O43451 1/20 0.45
AMY1A P0DUB6 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GRIK1 P39086 2/20 0.41
MAP2K2 P36507 1/20 0.41
ALB P02768 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL31392754 1.00 CES2 (0.50) CES2CES1TSHRCASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL9860906 0.98 CES2 (0.48) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL109128 0.84 TSHR (0.48) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL9860898 0.83 CES2 (0.50) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL7749586 0.83 CES2 (0.50) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL29488311 0.83 TSHR (0.47) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL364951 0.83 TSHR (0.47) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL107955 0.83 TSHR (0.52) TSHRCASP1SMN1; SMN2MAP2K1KEAP1
SCHEMBL28580395 0.81 TSHR (0.50) TSHRCASP1SMN1; SMN2MAP2K1KEAP1
SCHEMBL2581821 0.81 CES2 (0.48) CES2CES1CASP1MAP2K1MGAM

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
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 WO disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2150535-A2 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-02-10 EP disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009053459-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008125600-A2 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 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 (9 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CES2 4227/4885CES1 1077/4885TSHR 2320/4885
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 CES2 4342/4885CES1 1945/4885TSHR 4093/4885
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CES2 4094/4885CES1 1572/4885TSHR 3743/4885
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 CES2 3816/4885CES1 2950/4885TSHR 1498/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 CES2 4241/4885CES1 1062/4885TSHR 3551/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CES2 4411/4885CES1 1134/4885TSHR 2567/4885
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX6, P2RX7 CES2 3039/4885CES1 2110/4885TSHR 713/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CES2 4411/4885CES1 1134/4885TSHR 2567/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 CES2 2000/4885CES1 206/4885TSHR 3525/4885

“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.