SCHEMBL3353583

SCHEMBL3353583

CCOc1ccc(C)cc1C=CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.53
POLB P06746 6/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
NR0B1 P51843 1/20 0.42
PTPN5 P54829 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3353576 1.00 TGFBR1 (0.53) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3354523 0.91 TGFBR1 (0.65) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3354529 0.91 TGFBR1 (0.65) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3349833 0.90 TGFBR1 (0.67) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3349830 0.90 TGFBR1 (0.67) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3349073 0.89 TGFBR1 (0.49) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3349068 0.89 TGFBR1 (0.49) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3352034 0.87 TGFBR1 (0.52) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3352029 0.87 TGFBR1 (0.52) TGFBR1POLBALDH1A1NPC1RAB9A
SCHEMBL3350618 0.85 TGFBR1 (0.49) TGFBR1POLBALDH1A1NPC1RAB9A

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-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 TGFBR1 1266/4885POLB 2460/4885ALDH1A1 686/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885POLB 2428/4885ALDH1A1 683/4885

“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.