SCHEMBL1609283

SCHEMBL1609283

Cc1c(C(=O)N2CCOCC2)sc2cc(O)c(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.56
CES2 O00748 1/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 3/20 0.44
CNR1 P21554 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL1608165 0.86 HPGD (0.62) GPR35ALDH1A1HPGDL3MBTL1HTT
SCHEMBL1608957 0.83 CES2 (0.55) CES2ALDH1A1POLBHPGDL3MBTL1
SCHEMBL1609428 0.81 HPGD (0.45) GPR35HPGDL3MBTL1ALOX15HSD17B10
SCHEMBL32686061 0.81 HPGD (0.56) CES2ALDH1A1POLBHPGDKDM4E
SCHEMBL1608156 0.76 SMN1; SMN2 (0.48) ALDH1A1POLBHPGDL3MBTL1KDM4E
SCHEMBL1608247 0.75 HPGD (0.55) CES2ALDH1A1POLBHPGDL3MBTL1
SCHEMBL1608760 0.75 COMT (0.48) ALDH1A1POLBHPGDKDM4EKMT2A
SCHEMBL32686117 0.75 CES2 (0.49) CES2ALDH1A1POLBHPGDL3MBTL1
SCHEMBL32686008 0.74 CES2 (0.47) CES2ALDH1A1POLBHPGDL3MBTL1
SCHEMBL14703004 0.73 GPR35 (1.00) GPR35

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
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 GPR35 1268/4885CES2 69/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 GPR35 889/4885CES2 100/4885ALDH1A1 233/4885

“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.