SCHEMBL1209591

SCHEMBL1209591

N#Cc1c(NC(=O)C=Cc2ccsc2)sc2c1CCC(COC(=O)NCC1CCCO1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.46
TGFBR1 P36897 3/20 0.45
ALDH1A1 P00352 12/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NR0B1 P51843 1/20 0.42
MAPK10 P53779 1/20 0.40
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1209155 0.91 PTPN5 (0.50) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1209792 0.89 TGFBR1 (0.46) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1210032 0.89 PTPN5 (0.46) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1208110 0.88 PTPN5 (0.54) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1210297 0.87 NOD1 (0.46) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1207501 0.87 PTPN5 (0.44) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL12882715 0.87 PTPN5 (0.44) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1207683 0.87 PTPN5 (0.49) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1210568 0.86 PTPN5 (0.53) PTPN5TGFBR1ALDH1A1POLBNPC1
SCHEMBL1208888 0.86 ALDH1A1 (0.61) PTPN5TGFBR1ALDH1A1POLBNPC1

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 PTPN5 1174/4885TGFBR1 1167/4885ALDH1A1 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.