SCHEMBL3962709

SCHEMBL3962709

Cc1c(N)cccc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.67
NFE2L2 Q16236 1/20 0.67
NR3C1 P04150 8/20 0.49
PGR P06401 2/20 0.49
NR3C2 P08235 2/20 0.49
AR P10275 2/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PIK3CA P42336 1/20 0.48
GLO1 Q04760 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL29396266 0.82 KEAP1 (0.55) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL449212 0.82 KEAP1 (0.55) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL15108064 0.80 KEAP1 (1.00) KEAP1NFE2L2NR3C1PGRNR3C2
Hydrochloric Acid SCHEMBL8118011 0.80 KEAP1 (0.53) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL4090066 0.79 KEAP1 (0.50) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL21870755 0.79 KEAP1 (0.50) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL1335286 0.77 KEAP1 (0.67) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL12990378 0.77 KEAP1 (0.67) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL5965425 0.77 KEAP1 (0.67) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL13869170 0.76 KEAP1 (0.65) KEAP1NFE2L2NR3C1PGRNR3C2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988022-B1 HAIR DYE HENKEL KGAA (DE) 2005-09-21 EP claimed
US-20010004779-A1 Novel p-aminophenol derivatives and the use thereof ROSE DAVID (DE) 2001-06-28 US claimed
EP-1044185-A2 NEW DERIVATIVES OF P-AMINOPHENOL AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP claimed
EP-0988022-A1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-03-29 EP claimed
WO-1999060992-A1 DIRECT HAIR DYE AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-12-02 WO claimed
WO-1999031054-A2 NOVEL P-AMINOPHENOL DERIVATIVES AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-24 WO claimed
WO-1999007334-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-18 WO claimed
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
EP-1231889-B1 DIRECT HAIR DYES AND USE THEREOF HENKEL KGAA (DE) 2005-12-14 EP disclosed
EP-0988022-B1 HAIR DYE HENKEL KGAA (DE) 2005-09-21 EP disclosed
EP-1218344-B1 OXIDATION COLORANT STARTING PRODUCTS HENKEL KGAA (DE) 2005-08-17 EP disclosed
EP-1212032-B1 NEW DIRECT HAIR COLORANTS HENKEL KGAA (DE) 2005-05-04 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
EP-0988022-A1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-03-29 EP disclosed
WO-1999060992-A1 DIRECT HAIR DYE AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-12-02 WO disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
WO-1999031054-A2 NOVEL P-AMINOPHENOL DERIVATIVES AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-24 WO disclosed
WO-1999007334-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-18 WO disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP 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 (1 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-20010004779-A1 Novel p-aminophenol derivatives and the use thereof KRT18, S100P, CKAP4 KEAP1 460/4885NFE2L2 1956/4885NR3C1 3629/4885

“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.