SCHEMBL6171654

SCHEMBL6171654

COc1ccc(C(=O)O)c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
MAPT P10636 7/20 0.57
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HMOX1 P09601 1/20 0.52
HMOX2 P30519 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SMPD3 Q9NY59 1/20 0.42

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
SCHEMBL6173640 0.87 TP53 (0.65) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL7971960 0.86 TP53 (0.64) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL6172259 0.84 TP53 (0.60) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL6171031 0.82 ALDH1A1 (0.74) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL6173220 0.82 TP53 (0.54) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL6170488 0.81 TP53 (0.56) TP53MAPTALOX15HSD17B10HMOX1
SCHEMBL20795032 0.75 TP53 (0.49) TP53MAPTLMNASMPD3
SCHEMBL21934542 0.74 LMNA (0.53) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL16333318 0.73 MAP4K4 (0.53) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL21326439 0.73 TP53 (0.49) TP53MAPTALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263757-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-11 EP claimed
US-6313116-B1 PHOSPHODIESTERASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-11-06 US claimed
WO-2001058897-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO claimed
EP-1263757-B1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2005-07-27 EP disclosed
EP-1263757-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-11 EP disclosed
US-6313116-B1 PHOSPHODIESTERASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-11-06 US disclosed
WO-2001058897-A1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed