SCHEMBL21344768

SCHEMBL21344768

COc1cccc(CNc2ccc([SH](=O)=O)cc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 14/20 0.61
ALOX15 P16050 2/20 0.61
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 4/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL25233068 0.84 ALOX12 (0.72) ALOX12ALOX15MAPTKDM4EMEN1
SCHEMBL21504072 0.83 MAPT (0.61) ALOX12ALOX15MAPTKDM4EMEN1
SCHEMBL7567727 0.82 ALOX12 (0.60) ALOX12ALOX15MAPTKDM4EMEN1
SCHEMBL16634257 0.80 LMNA (0.75) ALOX12ALOX15KDM4ENPSR1LMNA
SCHEMBL25174209 0.80 MAPT (0.57) ALOX12ALOX15MAPTKDM4EMEN1
SCHEMBL21343952 0.78 CA1 (0.64) ALOX12ALOX15MAPTKDM4EMEN1
SCHEMBL16646098 0.76 ALOX12 (1.00) ALOX12ALOX15
SCHEMBL32677284 0.76 ALOX12 (1.00) ALOX12ALOX15
SCHEMBL16646069 0.74 ALOX12 (1.00) ALOX12ALOX15GAAALDH1A1LMNA
SCHEMBL20810406 0.74 GAA (0.60) ALOX12ALOX15MAPTKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752581-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase EASTERN VIRGINIA MEDICAL SCHOOL (US) 2020-08-25 US disclosed
WO-2019204375-A1 SELECTIVE INHIBITORS OF 12(S)-LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-24 WO disclosed
US-20190276395-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-09-12 US 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 (2 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-20190276395-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO)BENZENESULFONAMIDE DERIVATIVES AS POTENT AND SELECTIVE INHIBITORS OF 12-LIPOXYGENASE ALOX12, ALOX15, ALOX15B ALOX12 1/4885ALOX15 2/4885MAPT 4765/4885
US-10752581-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase ALOX12, ALOX15, ALOX15B ALOX12 1/4885ALOX15 2/4885MAPT 4765/4885

“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.