SCHEMBL1209158

SCHEMBL1209158

COC(=O)OCC1CCc2c(sc(NC(=O)CCc3cccc(OC)c3)c2C#N)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GCGR P47871 1/20 0.43
GRM1 Q13255 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1208498 0.92 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209675 0.91 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209473 0.91 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209127 0.91 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1207302 0.90 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209684 0.89 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1208915 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1208690 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL14293345 0.89 RXFP1 (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1209294 0.88 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ARAB9A

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 2 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

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 316/4885MAPT 865/4885MEN1 4667/4885

“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.