SCHEMBL19975205

SCHEMBL19975205

CC(C)NC(=O)[C@H]1C[C@H](NC(=O)C(=O)[C@H]2CCC(=O)N2Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX7 Q99572 2/20 0.45
ITGB1 P05556 6/20 0.44
ITGA4 P13612 6/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21176365 1.00 CAPN1 (0.47) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL19975204 1.00 CAPN1 (0.47) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL19975422 0.86 CAPN1 (0.52) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL19974940 0.86 CAPN1 (0.52) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL21183549 0.84 EPHX2 (0.50) CAPN1GAAALDH1A1P2RX7KMT2A
SCHEMBL19974981 0.84 P2RX7 (0.49) CAPN1GAAP2RX7ITGB1ITGA4
SCHEMBL21183578 0.84 P2RX7 (0.51) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL21183582 0.84 P2RX7 (0.51) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL19974789 0.83 P2RX7 (0.48) CAPN1GAAALDH1A1CYP2D6CYP2C9
SCHEMBL21176249 0.81 P2RX7 (0.46) CAPN1GAAALDH1A1CYP2D6CYP2C9

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 CAPN1 1497/4885GAA 75/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CAPN1 1555/4885GAA 107/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CAPN1 1497/4885GAA 75/4885ALDH1A1 2271/4885

“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.