SCHEMBL1335286

SCHEMBL1335286

Cc1c(Br)cccc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.67
NFE2L2 Q16236 1/20 0.67
NR3C1 P04150 11/20 0.52
PGR P06401 2/20 0.49
NR3C2 P08235 2/20 0.49
AR P10275 2/20 0.49
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
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL29388997 0.82 KEAP1 (0.55) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL1291091 0.82 KEAP1 (0.55) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL15108064 0.80 KEAP1 (1.00) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL21931409 0.79 KEAP1 (0.50) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL15649605 0.79 KEAP1 (0.50) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL3971618 0.78 NR3C1 (0.57) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL12407074 0.78 LMNA (0.61) KEAP1NFE2L2L3MBTL1HTTKMT2A
SCHEMBL1290987 0.77 KEAP1 (0.67) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL5965425 0.77 KEAP1 (0.67) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL3962709 0.77 KEAP1 (0.67) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643308-B1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2021-05-19 EP disclosed
EP-3643308-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2020-04-29 EP disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 KEAP1 1560/4885NFE2L2 1913/4885NR3C1 27/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 KEAP1 1196/4885NFE2L2 496/4885NR3C1 3/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 KEAP1 1265/4885NFE2L2 564/4885NR3C1 3/4885

“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.