SCHEMBL1209863

SCHEMBL1209863

CS(=O)(=O)NC1CCN(C(=O)OC2CCc3c(sc(NC(=O)C=Cc4cccnc4)c3C#N)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
PTPN5 P54829 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
NR0B1 P51843 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
C3AR1 Q16581 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNF P01375 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
SCHEMBL12895236 0.90 TGFBR1 (0.43) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL1209324 0.90 TGFBR1 (0.43) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL12895446 0.90 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL1207078 0.90 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL12882712 0.90 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL1208425 0.90 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL12895238 0.89 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL1208611 0.89 TGFBR1 (0.46) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL12882711 0.88 TGFBR1 (0.42) TGFBR1PTPN5MAPTLMNAGAA
SCHEMBL1208530 0.88 TGFBR1 (0.42) TGFBR1PTPN5MAPTLMNAGAA

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US claimed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP claimed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO claimed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 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 (1 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD TGFBR1 1167/4885PTPN5 1174/4885MAPT 865/4885

“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.