SCHEMBL1208704

SCHEMBL1208704

Cc1nn(C)cc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3cccnc3)c2C#N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
POLB P06746 5/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 6/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ESR1 P03372 1/20 0.36
OPRK1 P41145 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 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
SCHEMBL1209248 0.93 MAPT (0.41) MAPTGAASMN1; SMN2HTTPOLB
SCHEMBL1208271 0.89 ALDH1A1 (0.40) MAPTGAASMN1; SMN2POLBUSP2
SCHEMBL1208260 0.88 ALDH1A1 (0.39) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL1209503 0.88 MAPT (0.40) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL1209641 0.87 ALDH1A1 (0.40) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL14292980 0.86 MAPT (0.35) MAPTLMNAGAAHTTPOLB
SCHEMBL1208761 0.84 L3MBTL1 (0.49) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL1207624 0.84 PTPN5 (0.39) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL12882696 0.84 PTPN5 (0.39) MAPTLMNAGAASMN1; SMN2HTT
SCHEMBL1209722 0.84 MAPT (0.46) MAPTLMNAGAASMN1; SMN2HTT

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
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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 MAPT 865/4885LMNA 3666/4885GAA 3689/4885

“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.