SCHEMBL2581821

SCHEMBL2581821

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
DGAT1 O75907 1/20 0.46
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
CASP1 P29466 1/20 0.41
PBRM1 Q86U86 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
BCHE P06276 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL2584915 0.85 DGAT1 (0.47) CES2CES1DGAT1GAAMAP2K2
SCHEMBL28074401 0.83 KMT2A (0.50) DGAT1KMT2AATMCASP1PBRM1
SCHEMBL5802725 0.83 DGAT1 (0.46) CES2CES1DGAT1GAAMGAM
SCHEMBL9860898 0.81 CES2 (0.50) CES2CES1GAAMGAMAMY1A
SCHEMBL31392754 0.81 CES2 (0.50) CES2CES1GAAMGAMAMY1A
SCHEMBL2579411 0.81 CES2 (0.50) CES2CES1GAAMGAMAMY1A
SCHEMBL7749586 0.81 CES2 (0.50) CES2CES1GAAMGAMAMY1A
SCHEMBL1003016 0.80 CES2 (0.67) CES2CES1DGAT1MAP2K2MAP2K1
SCHEMBL3336960 0.80 DGAT1 (0.43) CES2CES1DGAT1GAAKMT2A
SCHEMBL811777 0.79 KMT2A (0.52) DGAT1GAAKMT2AATMCASP1

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 19 patents. 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
CN-112638883-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-04-09 CN disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 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
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 (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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 CES2 3816/4885CES1 2950/4885DGAT1 4589/4885
US-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 CES2 3854/4885CES1 1551/4885DGAT1 4430/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 CES2 3816/4885CES1 2950/4885DGAT1 4589/4885
US-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX6, P2RX7 CES2 3039/4885CES1 2110/4885DGAT1 4196/4885

“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.