SCHEMBL19974704

SCHEMBL19974704

COc1ccccc1N(C=O)C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.42
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
TSPO P30536 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL30061792 1.00 KMT2A (0.47) KMT2AHTTPAX8TLR9MAPK1
SCHEMBL19975516 0.84 KMT2A (0.41) KMT2AHTTPAX8TLR9CA12
SCHEMBL21183522 0.81 L3MBTL1 (0.46) KMT2APAX8TLR9MAPK1ALDH1A1
SCHEMBL19975449 0.79 L3MBTL1 (0.36) KMT2APAX8TLR9MAPK1ALDH1A1
SCHEMBL19974888 0.79 L3MBTL1 (0.36) KMT2APAX8TLR9MAPK1ALDH1A1
SCHEMBL19975358 0.79 POLB (0.45) KMT2AHTTALDH1A1L3MBTL1POLB
SCHEMBL19974891 0.79 L3MBTL1 (0.36) KMT2APAX8TLR9MAPK1ALDH1A1
SCHEMBL21176210 0.79 HPGD (0.43) KMT2APAX8TLR9ALDH1A1HPGD
SCHEMBL19975357 0.79 POLB (0.45) KMT2AHTTALDH1A1L3MBTL1POLB
SCHEMBL19975219 0.79 LMNA (0.47) KMT2AALDH1A1HPGDL3MBTL1SMN1; SMN2

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 KMT2A 4031/4885HTT 3380/4885PAX8 4445/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885HTT 3569/4885PAX8 4491/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885HTT 3380/4885PAX8 4445/4885

“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.