SCHEMBL1208971

SCHEMBL1208971

Cn1cncc1CNC(=O)OCC1CCc2c(sc(NC(=O)C=Cc3ccoc3)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.44
ALDH1A1 P00352 11/20 0.41
TGFBR1 P36897 3/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
POLB P06746 5/20 0.37
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
NR0B1 P51843 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 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
SCHEMBL1208998 0.90 PTPN5 (0.40) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1208718 0.90 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1209935 0.90 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1208572 0.89 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1209221 0.89 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL12895220 0.89 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1207448 0.88 ALDH1A1 (0.52) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1208791 0.88 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1209029 0.88 PTPN5 (0.44) PTPN5ALDH1A1TGFBR1RAB9ANPC1
SCHEMBL1208042 0.88 PTPN5 (0.45) PTPN5ALDH1A1TGFBR1RAB9ANPC1

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 1174/4885ALDH1A1 316/4885TGFBR1 1167/4885

“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.