SCHEMBL1607048

SCHEMBL1607048

c1csc([C]2CCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.42
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
LTA4H P09960 2/20 0.36
NISCH Q9Y2I1 1/20 0.35
DPP4 P27487 1/20 0.35
GALR1 P47211 1/20 0.35

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
SCHEMBL27238090 0.94 RPS6KB2 (0.41) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL15873586 0.71 RPS6KB2 (0.50) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL9784218 0.71 CTNNB1 (0.50) RPS6KB2HPGDMAPTCTNNB1WNT3A
Fluoride SCHEMBL491501 0.71 L3MBTL1 (0.55) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL5746764 0.71 NPC1 (0.39) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL25204309 0.69 NISCH (0.46) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL7135870 0.69 MAPT (0.52) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL498605 0.69 LTA4H (0.43) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL667254 0.69 KDM4E (0.43) RPS6KB2HPGDMAPTMEN1KMT2A
SCHEMBL6910633 0.68 NISCH (0.44) RPS6KB2HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed
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
US-7081533-B2 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation DEGUSSA AG (DE) 2006-07-25 US disclosed
EP-1311517-B1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS DEGUSSA (DE) 2004-07-14 EP disclosed
US-20040019205-A1 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation DEGUSSA AG (DE) 2004-01-29 US disclosed
EP-1311517-A1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS Degussa AG (DE) 2003-05-21 EP disclosed
WO-2002014330-A1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS DEGUSSA AG (DE) 2002-02-21 WO disclosed
US-5352687-A Hypotensive agents BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 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 (2 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 RPS6KB2 503/4885HPGD 1744/4885MAPT 325/4885
US-20040019205-A1 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation GNPAT, PNKP, PHOSPHO1 RPS6KB2 4242/4885HPGD 2221/4885MAPT 2757/4885

“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.