SCHEMBL4454092

SCHEMBL4454092

Oc1ccc(-c2csc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.50
HSD17B2 P37059 3/20 0.50
ESR1 P03372 9/20 0.48
ESR2 Q92731 8/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALAD P13716 1/20 0.43
ALOX5 P09917 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL196775 0.77 CYP1A2 (0.44) HSD17B1HSD17B2ESR2MEN1KMT2A
SCHEMBL3141614 0.75 CYP3A4 (0.61) HSD17B1HSD17B2ESR2CYP3A4CYP2C9
SCHEMBL19567240 0.74 POLB (0.44) ALADNPC1TP53MAPTRAB9A
SCHEMBL17715302 0.74 RAB9A (0.46) ESR2ABL1ABCB1BCRMEN1
SCHEMBL28196743 0.71 HSD17B1 (0.47) HSD17B1HSD17B2ESR1ESR2CYP3A4
SCHEMBL6450949 0.69 ALAD (0.71) HSD17B1HSD17B2ESR1ESR2CYP3A4
SCHEMBL15632 0.69 ESR1 (1.00) HSD17B1HSD17B2ESR1ESR2CYP3A4
SCHEMBL6292004 0.69 ESR1 (1.00) HSD17B1HSD17B2ESR1ESR2CYP3A4
SCHEMBL30826784 0.69 ESR1 (1.00) HSD17B1HSD17B2ESR1ESR2CYP3A4
SCHEMBL368272 0.69 ESR1 (1.00) HSD17B1HSD17B2ESR1ESR2CYP3A4

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 HSD17B1 19/4885HSD17B2 18/4885ESR1 1085/4885

“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.