SCHEMBL19974671

SCHEMBL19974671

O=C(O)C(=O)C1CCC(=O)N1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.49
HDAC6 Q9UBN7 3/20 0.40
PHGDH O43175 1/20 0.39
NOTUM Q6P988 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 2/20 0.37
TNKS O95271 2/20 0.37
MTNR1A P48039 1/20 0.36

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
SCHEMBL630463 0.86 P2RX7 (0.51) P2RX7HDAC6PHGDHNOTUMPTGER3
SCHEMBL289579 0.86 P2RX7 (0.51) P2RX7HDAC6PHGDHNOTUMPTGER3
SCHEMBL289664 0.86 P2RX7 (0.51) P2RX7HDAC6PHGDHNOTUMPTGER3
SCHEMBL28820301 0.83 P2RX7 (0.49) P2RX7HDAC6PHGDHNOTUMPTGER3
SCHEMBL24434739 0.80 KMT2A (0.50) P2RX7HDAC6PHGDHMMP2MEN1
SCHEMBL766149 0.80 KMT2A (0.50) P2RX7HDAC6PHGDHMMP2MEN1
SCHEMBL631143 0.80 KMT2A (0.50) P2RX7HDAC6PHGDHMMP2MEN1
SCHEMBL21176284 0.79 P2RX7 (0.49) P2RX7HDAC6HDAC1HDAC8MTNR1A
SCHEMBL27832363 0.76 ALOX15 (0.43) P2RX7HDAC6PHGDHMEN1KMT2A
SCHEMBL13284935 0.73 ESR1 (0.46) P2RX7HDAC6PHGDHPTGER3PTGER2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885HDAC6 1313/4885PHGDH 1861/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885HDAC6 1439/4885PHGDH 1384/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885HDAC6 1313/4885PHGDH 1861/4885

“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.