SCHEMBL16634470

SCHEMBL16634470

CC(C)(C)C1CC(c2cccc(Br)c2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
RIPK1 Q13546 3/20 0.39
PDE5A O76074 1/20 0.39
HDAC4 P56524 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BACE1 P56817 2/20 0.37
KDM1A O60341 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC18A3 Q16572 3/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL29136131 0.86 RIPK1 (0.49) DRD2RIPK1HRH3BACE1SLC18A3
SCHEMBL3985447 0.85 RIPK1 (0.39) RIPK1BACE1SLC18A3
SCHEMBL2548860 0.85 BACE1 (0.37) RIPK1PDE5AHRH3BACE1KDM1A
SCHEMBL28059312 0.81 LMNA (0.43) PDE5ANPSR1
SCHEMBL18585948 0.77 HDAC4 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19875598 0.77 SLC6A4 (0.39) DRD2RIPK1HRH3SLC6A4SLC6A3
SCHEMBL3930659 0.77 TP53 (0.41) RIPK1
SCHEMBL9990026 0.77 MLYCD (0.38) DRD2RIPK1PDE5ASLC18A3SIGMAR1
SCHEMBL3988014 0.76 HDAC6 (0.34) DRD2RIPK1HDAC4
SCHEMBL27224984 0.76 HDAC6 (0.34) RIPK1HDAC4HRH3

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 4 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
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
EP-3054936-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS Eastern Virginia Medical School (US) 2016-08-17 EP disclosed
WO-2015054662-A1 4-((2-HYDROXY-3-METHOXYBENZYL)AMINO) BENZENESULFONAMIDE DERIVATIVES AS 12-LIPOXYGENASE INHIBITORS EASTERN VIRGINIA MEDICAL SCHOOL (US) 2015-04-16 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 (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 DRD2 2488/4885DRD1 3063/4885DRD4 1935/4885
US-10752581-B2 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase ALOX12, ALOX15, ALOX15B DRD2 2488/4885DRD1 3063/4885DRD4 1935/4885

“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.