SCHEMBL14650463

SCHEMBL14650463

CCOC(=O)/C(=C/c1cn([C@H]2CC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cn1)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
CPB2 Q96IY4 3/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ABCB1 P08183 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACE P12821 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL12333285 1.00 SIGMAR1 (0.34) SIGMAR1CPB2ITGB3ITGA2BABCB1
SCHEMBL14631011 0.93 SIGMAR1 (0.36) SIGMAR1CPB2ITGB3ITGA2BABCB1
SCHEMBL14631012 0.93 SIGMAR1 (0.36) SIGMAR1CPB2ITGB3ITGA2BABCB1
SCHEMBL14631014 0.93 SIGMAR1 (0.36) SIGMAR1CPB2ITGB3ITGA2BABCB1
SCHEMBL14650464 0.86 CPB2 (0.37) SIGMAR1CPB2MEN1ALDH1A1KMT2A
SCHEMBL17750090 0.86 CPB2 (0.37) SIGMAR1CPB2MEN1ALDH1A1KMT2A
SCHEMBL12333583 0.86 CPB2 (0.37) SIGMAR1CPB2MEN1ALDH1A1KMT2A
SCHEMBL12333374 0.83 CPB2 (0.42) CPB2
SCHEMBL14650462 0.83 CPB2 (0.42) CPB2
SCHEMBL12333140 0.81 CPB2 (0.40) CPB2MEN1ALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-05 US disclosed
US-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-24 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 (2 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-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI SIGMAR1 809/4885CPB2 258/4885ITGB3 1510/4885
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI SIGMAR1 809/4885CPB2 258/4885ITGB3 1510/4885

“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.