SCHEMBL19974965

SCHEMBL19974965

CC(NCC(C)(C)C)C(O)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.50
SLC2A1 P11166 1/20 0.46
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APEX1 P27695 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ADAM17 P78536 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL19974746 0.85 MASP2 (0.57) MASP2SLC2A1LMNARXFP1APEX1
SCHEMBL19975237 0.84 MASP2 (0.53) MASP2SLC2A1ALDH1A1LMNARXFP1
SCHEMBL19975129 0.82 MASP2 (0.51) MASP2SLC2A1ALDH1A1LMNARXFP1
SCHEMBL12898777 0.79 MASP2 (0.53) MASP2SLC2A1EPHX2ALDH1A1LMNA
SCHEMBL19975215 0.79 MASP2 (0.54) MASP2ALDH1A1LMNARXFP1APEX1
SCHEMBL12864453 0.79 ERCC1 (0.58) MASP2SLC2A1ALDH1A1LMNARXFP1
SCHEMBL21176349 0.78 ALDH1A1 (0.59) MASP2EPHX2ALDH1A1RXFP1NPC1
SCHEMBL12884455 0.78 MASP2 (0.52) MASP2SLC2A1EPHX2ALDH1A1LMNA
SCHEMBL19974714 0.78 MASP2 (0.43) MASP2SLC2A1EPHX2ALDH1A1LMNA
SCHEMBL19975126 0.77 ALDH1A1 (0.47) MASP2SLC2A1ALDH1A1RXFP1ADAM17

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 MASP2 1122/4885SLC2A1 3441/4885EPHX2 1455/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MASP2 862/4885SLC2A1 3560/4885EPHX2 1317/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MASP2 1122/4885SLC2A1 3441/4885EPHX2 1455/4885

“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.