SCHEMBL3836770

SCHEMBL3836770

CC(C)OC(=S)CC(=O)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.47
ALPL P05186 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 5/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
EIF4H Q15056 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 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
SCHEMBL5161664 0.84 ERCC5 (0.54) ERCC5FEN1NPC1RAB9ATP53
SCHEMBL6320074 0.76 ERCC5 (0.74) ERCC5FEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5036990 0.75 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GAANPSR1
SCHEMBL27986049 0.74 ALDH1A1 (0.49) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL7070914 0.74 ERCC5 (0.71) ERCC5FEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4459612 0.74 ERCC5 (0.61) ERCC5FEN1NPC1RAB9ATP53
SCHEMBL183688 0.73 ERCC5 (0.65) ERCC5FEN1RAB9ATP53SMN1; SMN2
SCHEMBL7641023 0.72 CES2 (0.59) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL3836768 0.72 ERCC5 (0.54) ERCC5FEN1NPC1RAB9ATP53
SCHEMBL10356158 0.72 ERCC5 (0.62) ERCC5FEN1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 EP disclosed
EP-1308441-B1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS EISAI R&D MAN CO LTD (JP) 2009-10-07 EP disclosed
US-6750232-B2 ADENOSINE ANTAGONIST; AN IMPORTANT REGULATORY FACTOR INVOLVED IN VARIOUS INTRACELLULAR METABOLISMS SUCH AS REGULATION OF ENERGY LEVELS EISAI CO., LTD. (JP) 2004-06-15 US disclosed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 US disclosed
CN-1446202-A 2-aminopyridine compounds and use thereof as drugs EISAI CO LTD (JP) 2003-10-01 CN disclosed
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP 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-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A ERCC5 3165/4885FEN1 3395/4885NPC1 2681/4885

“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.