SCHEMBL1553317

SCHEMBL1553317

CCOC(=O)/C(C#N)=C(/C)c1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
CES2 O00748 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PARP1 P09874 1/20 0.41
PLK1 P53350 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL1553318 1.00 HPGD (0.43) HPGDTDP1MAPTALDH1A1KDM4E
SCHEMBL1554618 0.86 NPC1 (0.52) HPGDTDP1MAPTALDH1A1KDM4E
SCHEMBL1554668 0.86 MAPT (0.43) HPGDTDP1MAPTALDH1A1PDCD1
SCHEMBL1554666 0.86 MAPT (0.43) HPGDTDP1MAPTALDH1A1PDCD1
SCHEMBL1554616 0.86 NPC1 (0.52) HPGDTDP1MAPTALDH1A1KDM4E
SCHEMBL1553339 0.85 MAPT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1553340 0.85 MAPT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12446816 0.85 MAPT (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14451735 0.85 ALDH1A1 (0.55) HPGDTDP1MAPTALDH1A1CES2
SCHEMBL11669329 0.84 AKR1C3 (0.49) HPGDMAPTALDH1A1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE HPGD 726/4885TDP1 533/4885MAPT 1176/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE HPGD 726/4885TDP1 533/4885MAPT 1176/4885

“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.