SCHEMBL19974827

SCHEMBL19974827

CC(C)CC(NCC1CC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
CTSD P07339 2/20 0.34
BCHE P06276 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
CYP3A4 P08684 1/20 0.33
CPA1 P15085 1/20 0.33
REN P00797 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21183504 0.92 NPC1 (0.33) TDP1KMT2AANPEPDNPEPCTSD
SCHEMBL19974753 0.88 MC4R (0.34) TDP1KMT2ACTSD
SCHEMBL19975431 0.88 MC4R (0.34) TDP1KMT2ACTSD
SCHEMBL19975192 0.88 MC4R (0.34) TDP1KMT2ACTSD
SCHEMBL21183505 0.88 TDP1 (0.38) TDP1KMT2AANPEPDNPEPCTSD
SCHEMBL19974780 0.85 RXFP1 (0.47) TDP1KMT2ASMN1; SMN2
SCHEMBL19975203 0.83 EPHX2 (0.36) KMT2AANPEPDNPEPCTSDBCHE
SCHEMBL19975350 0.75 EPHX1 (0.45) TDP1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL19975153 0.75 EPHX1 (0.45) TDP1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL19974699 0.75 TDP1 (0.48) TDP1KMT2AANPEPDNPEPCTSD

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 TDP1 1016/4885KMT2A 4031/4885ANPEP 1075/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885KMT2A 4177/4885ANPEP 942/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885KMT2A 4031/4885ANPEP 1075/4885

“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.