SCHEMBL1209733

SCHEMBL1209733

CN(C(=O)OC1CCc2c(sc(NC(=O)C=Cc3ccoc3)c2C#N)C1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
PTPN5 P54829 1/20 0.44
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NR0B1 P51843 1/20 0.44
GCGR P47871 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1207536 0.92 PTPN5 (0.47) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1210194 0.89 PTPN5 (0.46) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1208996 0.89 PTPN5 (0.49) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1207403 0.88 PTPN5 (0.49) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1209193 0.88 PTPN5 (0.49) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1208339 0.87 TGFBR1 (0.46) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1210316 0.87 PTPN5 (0.47) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1210058 0.87 PTPN5 (0.45) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1209111 0.87 ALDH1A1 (0.62) TGFBR1PTPN5ALDH1A1NPC1RAB9A
SCHEMBL1207563 0.86 TGFBR1 (0.47) TGFBR1PTPN5ALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1174/4885ALDH1A1 316/4885

“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.