SCHEMBL1207249

SCHEMBL1207249

COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(CO)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 6/20 0.49
POLB P06746 4/20 0.49
RECQL P46063 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
PTPN5 P54829 1/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1207708 0.92 MAPT (0.52) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1209796 0.90 MAPT (0.53) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1207061 0.89 ALDH1A1 (0.48) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1208011 0.85 PTPN5 (0.51) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1209435 0.84 MAPT (0.51) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1209675 0.83 ALDH1A1 (0.57) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1207724 0.82 ALDH1A1 (0.52) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL2896328 0.81 ALDH1A1 (0.51) MAPTALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL1207647 0.81 MAPT (0.53) MAPTALDH1A1POLBRECQLMEN1
SCHEMBL1207711 0.81 ALDH1A1 (0.51) MAPTALDH1A1POLBRECQLSMN1; 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 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
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP 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 865/4885ALDH1A1 316/4885POLB 1250/4885

“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.