SCHEMBL2579402

SCHEMBL2579402

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.41
P2RX7 Q99572 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIK1 P39086 3/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ACLY P53396 1/20 0.38
TP53 P04637 1/20 0.37
CLCN2 P51788 2/20 0.37
ADRA2A P08913 1/20 0.37
PDK1 Q15118 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
SCHEMBL28146164 0.85 ALDH1A1 (0.42) NOTUMP2RX7ALDH1A1
SCHEMBL2579485 0.84 LMNA (0.41) CASP1NOTUMP2RX7PDK2
SCHEMBL19813279 0.84 TSHR (0.40) TSHRCASP1SMN1; SMN2NOTUMALDH1A1
SCHEMBL21776979 0.83 NOTUM (0.56) TSHRCASP1SMN1; SMN2NOTUMALDH1A1
SCHEMBL8786682 0.81 CES2 (0.42) TSHRCASP1SMN1; SMN2NOTUMALDH1A1
SCHEMBL109128 0.78 TSHR (0.48) TSHRCASP1SMN1; SMN2ALDH1A1GRIK1
SCHEMBL4232615 0.78 RXRB (0.45) TSHRNOTUMALDH1A1KDM4EHPGD
SCHEMBL5479400 0.76 RXRB (0.41) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2579411 0.76 CES2 (0.50) TSHRCASP1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL31392754 0.76 CES2 (0.50) TSHRCASP1SMN1; SMN2P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20220235062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-28 US disclosed
EP-3309161-B1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION COMPRISING A P2X7 MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2019-12-18 EP disclosed
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
US-10053462-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3309161-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-04-18 EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 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
CN-101511787-B Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD. (GB) 2011-11-30 CN disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 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
CN-101511787-A Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD (GB) 2009-08-19 CN 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-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
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (8 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-20220235062-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 TSHR 2552/4885CASP1 562/4885SMN1; SMN2 4479/4885
US-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 TSHR 2329/4885CASP1 402/4885SMN1; SMN2 4397/4885
US-10053462-B2 P2X7 modulators P2RX1, P2RX5, P2RX7 TSHR 1088/4885CASP1 260/4885SMN1; SMN2 4647/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 TSHR 2552/4885CASP1 562/4885SMN1; SMN2 4479/4885
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 TSHR 1498/4885CASP1 255/4885SMN1; SMN2 2202/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 TSHR 1498/4885CASP1 255/4885SMN1; SMN2 2202/4885
US-20180118749-A1 P2X7 MODULATORS P2RX7, P2RX3, P2RX1 TSHR 1554/4885CASP1 106/4885SMN1; SMN2 2720/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 TSHR 2329/4885CASP1 402/4885SMN1; SMN2 4397/4885

“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.