SCHEMBL19975307

SCHEMBL19975307

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HTR4 Q13639 2/20 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
SCHEMBL21176382 0.82 CTSD (0.33) CTSDKMT2ACYP3A4SMN1; SMN2
SCHEMBL19974735 0.81 HTR4 (0.32) CTSDCYP3A4ALDH1A1SMN1; SMN2CNR1
SCHEMBL21183501 0.77 SMN1; SMN2 (0.34) CTSDKMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL19975034 0.76 KDM4E (0.34) CTSD
SCHEMBL19975187 0.75 CTSD (0.30) CTSD
SCHEMBL19975121 0.75 CTSD (0.30) CTSD
SCHEMBL19974916 0.75 CTSD (0.30) CTSD
SCHEMBL19975203 0.74 EPHX2 (0.36) CTSDKMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL19975194 0.74 LMNA (0.38) KMT2AALDH1A1SMN1; SMN2
SCHEMBL28875792 0.72 METAP2 (0.39) KMT2AALDH1A1CNR1CNR2

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 4031/4885CYP3A4 2207/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CTSD 1046/4885KMT2A 4177/4885CYP3A4 1986/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CTSD 922/4885KMT2A 4031/4885CYP3A4 2207/4885

“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.