SCHEMBL1553963

SCHEMBL1553963

CCOC(=O)c1c(-c2cccc(C)c2)csc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
LMNA P02545 7/20 0.50
HPGD P15428 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
CYP3A4 P08684 2/20 0.50
PTBP1 P26599 1/20 0.50
MAPT P10636 8/20 0.49
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1554259 0.90 ALDH1A1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1553328 0.89 ALDH1A1 (0.48) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1553883 0.89 ALDH1A1 (0.55) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1554495 0.89 PTPN1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL4252376 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1554744 0.85 HSD17B10 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1554657 0.85 ALDH1A1 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1554599 0.85 PRKCZ (0.47) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL4757822 0.85 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4
SCHEMBL1553441 0.84 ALDH1A1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2CYP3A4

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 ALDH1A1 1591/4885LMNA 4578/4885HPGD 726/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885LMNA 4578/4885HPGD 726/4885

“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.