SCHEMBL4453915

SCHEMBL4453915

Oc1cc(F)cc(-c2cccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.54
HSD17B2 P37059 3/20 0.54
ERN1 O75460 5/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN1 P18031 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
LTA4H P09960 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
SCHEMBL6068213 0.86 ERN1 (0.49) ERN1MAPTKDM4EPTPN1KCNH2
SCHEMBL788391 0.86 MAPT (0.54) ERN1MAPTKDM4EPTPN1KCNH2
SCHEMBL21944872 0.77 ERN1 (0.50) ERN1MAPTKDM4EPTPN1KCNH2
SCHEMBL9931968 0.77 MAPT (0.50) ERN1MAPTKDM4EKCNH2ABL1
SCHEMBL27870660 0.76 ERN1 (0.42) ERN1MAPTKDM4EPTPN1KCNH2
SCHEMBL4338418 0.75 KCNH2 (0.58) ERN1MAPTKDM4EPTPN1KCNH2
SCHEMBL1029511 0.75 HSD17B1 (0.61) HSD17B1HSD17B2ERN1MAPTKCNH2
SCHEMBL151253 0.75 MAPT (0.51) HSD17B1HSD17B2ERN1MAPTKDM4E
SCHEMBL24726646 0.74 MAPT (0.44) ERN1MAPTKDM4EKCNH2ABL1
SCHEMBL6420368 0.72 ERN1 (0.56) ERN1MAPTKDM4EPTPN1KCNH2

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 3 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
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 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 (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 18/4885ERN1 879/4885

“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.