SCHEMBL13348359

SCHEMBL13348359

CC(=O)N1CCN(CC(CNC(=O)c2cc3cc(OCCCS)cc(N(C)S(=O)(=O)c4ccccn4)c3[nH]2)SCc2ccccc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NAMPT P43490 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
FAAH O00519 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ITGAV P06756 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL2659563 0.94 ITGB3 (0.31) ITGB3ITGA2BPDE3BPDE3APOLB
SCHEMBL13348412 0.93 ITGB3 (0.32) ITGB3ITGA2BITGAV
SCHEMBL13221657 0.92 SYK (0.32) ITGB3ITGA2BFAAHITGAV
SCHEMBL13222229 0.92 ITGB3 (0.32) ITGB3ITGA2BITGAV
SCHEMBL13312856 0.92 ITGB3 (0.30) ITGB3ITGA2BDRD2DRD3
SCHEMBL13221707 0.88 ITGB3 (0.33) ITGB3ITGA2BNAMPTPDE3BPDE3A
SCHEMBL2659494 0.87 ITGB3 (0.32) ITGB3ITGA2BPDE3BPDE3AITGAV
SCHEMBL2659939 0.87 ITGB3 (0.32) ITGB3ITGA2BITGAV
SCHEMBL2659399 0.86 SYK (0.32) ITGB3ITGA2BITGAV
SCHEMBL2660036 0.86 ITGB3 (0.32) ITGB3ITGA2BITGAV

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-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 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 (3 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 ITGB3 4797/4885ITGA2B 4779/4885NAMPT 580/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 ITGB3 4797/4885ITGA2B 4779/4885NAMPT 580/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 ITGB3 4797/4885ITGA2B 4779/4885NAMPT 580/4885

“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.