SCHEMBL19975347

SCHEMBL19975347

O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
P2RX7 Q99572 3/20 0.43
CAPN1 P07384 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL21176390 0.96 SIGMAR1 (0.42) SIGMAR1P2RX7CAPN1POLBL3MBTL1
SCHEMBL21176162 0.87 CYP2C19 (0.45) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21183582 0.87 P2RX7 (0.51) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21183578 0.87 P2RX7 (0.51) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21176273 0.87 P2RX7 (0.43) P2RX7CAPN1ITGB1ITGA4GAA
SCHEMBL21183549 0.85 EPHX2 (0.50) P2RX7CAPN1L3MBTL1GAAALDH1A1
SCHEMBL19974981 0.85 P2RX7 (0.49) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21183583 0.84 P2RX7 (0.47) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21183550 0.82 CAPN1 (0.47) SIGMAR1P2RX7CAPN1ITGB1ITGA4
SCHEMBL21176161 0.82 DPP7 (0.54) SIGMAR1P2RX7CAPN1POLBL3MBTL1

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 SIGMAR1 1966/4885P2RX7 339/4885CAPN1 1497/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SIGMAR1 2229/4885P2RX7 564/4885CAPN1 1555/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SIGMAR1 1966/4885P2RX7 339/4885CAPN1 1497/4885

“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.