SCHEMBL19974790

SCHEMBL19974790

CC(C(=O)C(=O)NCC1CC1)N(C=O)CC1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HSD11B1 P28845 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
EPHX1 P07099 1/20 0.35
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL19974880 0.87 ALDH1A1 (0.35) SIGMAR1SMN1; SMN2ALDH1A1KDM4EEPHX1
SCHEMBL21183548 0.87 EPHX2 (0.39) SIGMAR1SMN1; SMN2ALDH1A1KDM4EEPHX1
SCHEMBL19975241 0.86 EPHX1 (0.40) SMN1; SMN2ALDH1A1TSHREPHX1
SCHEMBL19975106 0.86 EPHX1 (0.40) SMN1; SMN2ALDH1A1TSHREPHX1
SCHEMBL19975075 0.86 USP2 (0.38) SIGMAR1SMN1; SMN2ALDH1A1KDM4EEPHX1
SCHEMBL19974893 0.85 BRD4 (0.33) SMN1; SMN2KDM4EEPHX1
SCHEMBL21176384 0.82 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4EEPHX1HPGD
SCHEMBL21176247 0.80 KDM4E (0.48) SMN1; SMN2ALDH1A1KDM4EEPHX1HPGD
SCHEMBL19974993 0.79 ALOX15 (0.44) SIGMAR1SMN1; SMN2ALDH1A1TSHREPHX1
SCHEMBL19974996 0.79 CTSD (0.38) SMN1; SMN2ALDH1A1EPHX1HPGD

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 1966/4885SMN1; SMN2 706/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SIGMAR1 2229/4885SMN1; SMN2 1086/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SIGMAR1 1966/4885SMN1; SMN2 706/4885ALDH1A1 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.