SCHEMBL1207173

SCHEMBL1207173

COc1cccc(C(C)CC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)N2CCOCC2)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GRM1 Q13255 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1208838 0.94 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1209551 0.91 L3MBTL1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1207394 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1207082 0.88 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1207839 0.86 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1208967 0.86 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1209646 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1207230 0.83 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL12895486 0.83 RXFP1 (0.38) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1219166 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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 4 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
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 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.