SCHEMBL1208266

SCHEMBL1208266

COC1CN(C(=O)OC2CCc3c(sc(NC(=O)C=Cc4ccoc4)c3C#N)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
POLB P06746 4/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NR0B1 P51843 1/20 0.44
TGFBR1 P36897 3/20 0.44
PTPN5 P54829 1/20 0.43
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 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
SCHEMBL1209718 0.92 TGFBR1 (0.45) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1207428 0.92 TGFBR1 (0.45) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1209165 0.90 TGFBR1 (0.48) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1210683 0.90 TGFBR1 (0.46) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1209136 0.90 TGFBR1 (0.48) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1209129 0.90 PTPN5 (0.48) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1210197 0.89 TGFBR1 (0.47) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1210121 0.89 TGFBR1 (0.44) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1208365 0.89 TGFBR1 (0.45) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL1210014 0.89 TGFBR1 (0.45) ALDH1A1RAB9ANPC1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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 ALDH1A1 316/4885RAB9A 2531/4885NPC1 4410/4885

“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.