SCHEMBL1210359

SCHEMBL1210359

Cn1ccnc1CNC(=O)OC1CCc2c(sc(NC(=O)C=Cc3ccoc3)c2C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
TGFBR1 P36897 3/20 0.39
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.38
NR0B1 P51843 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1209001 0.90 PTPN5 (0.44) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1208181 0.89 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1207622 0.88 ALDH1A1 (0.53) PTPN5ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1210694 0.88 PTPN5 (0.41) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1208253 0.88 PTPN5 (0.41) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1207821 0.87 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1207514 0.87 NOD1 (0.47) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1208998 0.87 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1210031 0.87 PTPN5 (0.41) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1209200 0.86 ALDH1A1 (0.41) PTPN5TGFBR1ALDH1A1KDM4ESMN1; SMN2

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.