SCHEMBL1209595

SCHEMBL1209595

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)NCc2cccnc2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ROCK2 O75116 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM1 Q13255 1/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1208814 0.91 ALDH1A1 (0.48) ALDH1A1ROCK2MAPTPOLBTP53
SCHEMBL1207755 0.90 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1GRM1MAPT
SCHEMBL1208794 0.89 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1GRM1MAPT
SCHEMBL1207699 0.89 ALDH1A1 (0.48) ALDH1A1ROCK2GRM1MAPTPOLB
SCHEMBL1207895 0.89 ALDH1A1 (0.53) ALDH1A1GRM1MAPTTP53SMN1; SMN2
SCHEMBL1207172 0.88 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1GRM1MAPT
SCHEMBL1209716 0.88 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1GRM1MAPT
SCHEMBL1207338 0.88 ALDH1A1 (0.47) ALDH1A1HPGDGRM1MAPTTP53
SCHEMBL1208830 0.87 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1GRM1MAPT
SCHEMBL1209732 0.87 ALDH1A1 (0.51) ALDH1A1GRM1MAPTPOLBSMN1; SMN2

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 316/4885ROCK2 2142/4885HPGD 2097/4885

“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.