SCHEMBL1207264

SCHEMBL1207264

CCNC(=O)OC[C@@H]1CCc2c(sc(NC(=O)CCc3cccnc3)c2C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 3/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
PTPN5 P54829 1/20 0.43
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GCGR P47871 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1207787 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1207266 1.00 ALDH1A1 (0.49) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL14292942 0.93 ALDH1A1 (0.41) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1207505 0.92 ALDH1A1 (0.48) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1207199 0.92 ALDH1A1 (0.44) ALDH1A1PTPN5MAPTPOLBMEN1
SCHEMBL12895488 0.89 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL1207785 0.89 ALDH1A1 (0.45) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1208581 0.88 ALDH1A1 (0.47) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1209397 0.87 ALDH1A1 (0.42) ALDH1A1RAB9AALOX15NPC1MAPK1
SCHEMBL1207755 0.87 ALDH1A1 (0.47) ALDH1A1RAB9AMAPTPOLBMEN1

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 ALDH1A1 316/4885RAB9A 2531/4885ALOX15 1421/4885

“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.