SCHEMBL1209094

SCHEMBL1209094

Cn1cncc1CNC(=O)OC1CCc2c(sc(NC(=O)C=Cc3cccnc3)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 0.40
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NR0B1 P51843 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.35
SAE1 Q9UBE0 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
SCHEMBL12882614 1.00 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL12882695 0.92 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL1209110 0.92 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL12882623 0.91 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL1206987 0.91 PTPN5 (0.40) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL1208572 0.90 PTPN5 (0.45) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL12895220 0.90 PTPN5 (0.45) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL14293168 0.90 MAPT (0.39) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1208534 0.90 PTPN5 (0.39) PTPN5TGFBR1ALDH1A1MAPTPOLB
SCHEMBL12882844 0.90 PTPN5 (0.39) PTPN5TGFBR1ALDH1A1MAPTPOLB

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 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.