SCHEMBL4444229

SCHEMBL4444229

COc1ccc(-c2ccsc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS2 P35354 3/20 0.50
PTGS1 P23219 1/20 0.49
CYP17A1 P05093 1/20 0.48
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
CYP2A6 P11509 1/20 0.46
USP2 O75604 1/20 0.46
ERN1 O75460 2/20 0.46
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44

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
SCHEMBL27703952 0.86 ERN1 (0.49) ALDH1A1PDGFRBPDGFRACYP2A6ERN1
SCHEMBL9464193 0.83 CYP17A1 (0.61) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5992568 0.81 GAK (0.48) NPC1RAB9APDGFRBPDGFRACYP2A6
SCHEMBL2284210 0.77 KCNH2 (0.53) PDGFRBPDGFRACYP2A6ERN1KCNH2
SCHEMBL8656197 0.77 CYP17A1 (0.56) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL26414634 0.77 ERN1 (0.50) ALDH1A1PDGFRBPDGFRACYP2A6ERN1
SCHEMBL8526954 0.76 PDGFRB (0.61) NPC1PDGFRBPDGFRACYP2A6ERN1
SCHEMBL15605813 0.76 CYP17A1 (0.58) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL8078586 0.76 KCNH2 (0.45) MEN1KMT2APDGFRBPDGFRACYP2A6
SCHEMBL5606504 0.76 GAK (0.50) ALDH1A1NPC1RAB9APDGFRBPDGFRA

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
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A MEN1 3169/4885ALDH1A1 633/4885KMT2A 2805/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MEN1 3169/4885ALDH1A1 633/4885KMT2A 2805/4885

“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.