SCHEMBL2482877

SCHEMBL2482877

CC(C)(C)N(C(=O)O)c1nc2ccc(O)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
HSD17B1 P14061 7/20 0.50
HSD17B2 P37059 6/20 0.50
DYRK1A Q13627 2/20 0.49
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
GPR35 Q9HC97 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
APP P05067 3/20 0.44
SULT1A1 P50225 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL20595677 0.84 PPARA (0.55) HTTDYRK1AAPPCYP1A2CYP3A4
SCHEMBL3410201 0.84 HTT (0.42) HTTHSD17B1HSD17B2DYRK1ACYP1A2
SCHEMBL544007 0.82 HTT (0.69) HTTHSD17B1HSD17B2DYRK1AGAA
SCHEMBL3405702 0.78 HTT (0.37) HTTHSD17B1HSD17B2DYRK1A
SCHEMBL5536580 0.77 HTT (1.00) HTTHSD17B1HSD17B2DYRK1AGAA
SCHEMBL2485036 0.76 CACNA1B (0.50) HTTCA1CA2CA4CYP1A2
SCHEMBL14509024 0.75 HTT (0.78) HTTHSD17B1HSD17B2DYRK1AGAA
SCHEMBL22363215 0.75 ABL1 (0.59)
SCHEMBL2099021 0.73 PPARA (0.43) DYRK1AAPPCYP1A2CYP3A4CYP2C9
SCHEMBL25303578 0.73 NPC1 (0.38) HTTHSD17B1HSD17B2L3MBTL1

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
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 HTT 7/4885HSD17B1 3226/4885HSD17B2 3825/4885

“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.