SCHEMBL12895488

SCHEMBL12895488

CCNC(=O)OC[C@H]1CCc2c(sc(NC(=O)CCc3cccnc3)c2N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 4/20 0.41
MAPT P10636 4/20 0.41
AIP O00170 1/20 0.39
SGTA O43765 1/20 0.39
TOMM70 O94826 1/20 0.39
STIP1 P31948 1/20 0.39
PPP5C P53041 1/20 0.39
DNAJC7 Q99615 1/20 0.39
STUB1 Q9UNE7 1/20 0.39
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL1207266 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL1207264 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14292942 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14293349 0.88 TSHR (0.39) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14293351 0.87 RAB9A (0.38) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14293204 0.86 MAPT (0.40) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14293347 0.85 KDM4E (0.41) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL14293340 0.85 RXFP1 (0.42) ALDH1A1RAB9ATP53MAPTAIP
SCHEMBL14293180 0.85 MAPT (0.44) ALDH1A1KDM4ERAB9ATP53MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 316/4885KDM4E 2054/4885RAB9A 2531/4885

“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.