SCHEMBL1607063

SCHEMBL1607063

c1coc([C]2CCCS2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MAPT P10636 5/20 0.39
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 4/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 3/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 3/20 0.39
BLM P54132 3/20 0.39
CASP7 P55210 3/20 0.39
KMT2A Q03164 3/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 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
SCHEMBL1799678 0.67 ALDH1A1 (0.63) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL498016 0.66
SCHEMBL10671920 0.66 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL21663998 0.63 NISCH (0.44) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL1607474 0.63 NISCH (0.44) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL28770584 0.61 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL6462643 0.61 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL10750300 0.60 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL394300 0.60 TAAR1 (0.76) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL9825171 0.60 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10KDM4EPOLB

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
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885MAPT 325/4885HSD17B10 1320/4885

“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.