SCHEMBL21176382

SCHEMBL21176382

CC(C)CC(C(O)C(=O)NCC1CC1)N(C=O)CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL19975034 0.93 KDM4E (0.34) CTSD
SCHEMBL19974916 0.89 CTSD (0.30) CTSD
SCHEMBL19975187 0.89 CTSD (0.30) CTSD
SCHEMBL19975121 0.89 CTSD (0.30) CTSD
SCHEMBL19975194 0.85 LMNA (0.38) KMT2ATDP1SMN1; SMN2
SCHEMBL21183501 0.84 SMN1; SMN2 (0.34) CTSDKMT2ATDP1ANPEPDNPEP
SCHEMBL19975307 0.82 CTSD (0.34) CTSDKMT2ASMN1; SMN2CYP3A4
SCHEMBL19975400 0.81 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2
SCHEMBL19974838 0.81 SMN1; SMN2 (0.40) KMT2ATDP1SMN1; SMN2
SCHEMBL19975145 0.78 NPC1 (0.30) CTSD

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 CTSD 922/4885KMT2A 4031/4885TDP1 1016/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CTSD 1046/4885KMT2A 4177/4885TDP1 911/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CTSD 922/4885KMT2A 4031/4885TDP1 1016/4885

“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.