SCHEMBL4450455

SCHEMBL4450455

Oc1ccc(-c2ccsc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.46
ESR2 Q92731 5/20 0.46
PTGS2 P35354 1/20 0.45
ALOX15 P16050 2/20 0.39
APP P05067 1/20 0.38
ABL1 P00519 2/20 0.38
ABCB1 P08183 2/20 0.38
BCR P11274 2/20 0.38
RPS6KA3 P51812 1/20 0.36
USP7 Q93009 1/20 0.36
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2781156 0.78 PTGS2 (0.46) PTGS2MEN1NPC1MAPTNFKB1
SCHEMBL7323658 0.78 MAPK14 (0.50) PTGS2KDM4ECYP3A4HPGDHSD17B10
SCHEMBL2779268 0.77 BCAT2 (0.47) PTGS2BCL2L1ALDH1A1HPGDHSD17B10
SCHEMBL1180608 0.76 PTGS2 (0.69) ESR1ESR2PTGS2
SCHEMBL18099186 0.75 CES1 (0.39)
SCHEMBL1356427 0.74 MAPK14 (0.50) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL4198700 0.74 PTGS1 (0.56) PTGS2ALDH1A1LMNAHPGDHSD17B10
SCHEMBL2780142 0.74 KIF11 (0.42)
SCHEMBL2779082 0.74 PTGS2 (0.50) ESR2PTGS2APPABL1ABCB1
SCHEMBL28760314 0.74 LOXL2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A ESR1 1085/4885ESR2 232/4885PTGS2 789/4885

“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.