SCHEMBL13622302

SCHEMBL13622302

COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C(=O)NCC(SCc3ccccc3)C(O)OC)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
ITGB3 P05106 8/20 0.33
ITGA2B P08514 6/20 0.33
ITGAV P06756 4/20 0.33
PTGER2 P43116 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ITGB5 P18084 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LGALS8 O00214 1/20 0.31
PYGL P06737 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2661034 0.94 MAPT (0.35) MAPTLMNATP53THRBITGB3
SCHEMBL2660058 0.88 MAPT (0.39) MAPTLMNATP53THRBITGB3
SCHEMBL2660586 0.88 MAPT (0.33) MAPTLMNATP53THRBITGB3
SCHEMBL9072973 0.87 ITGB3 (0.33) MAPTLMNATP53THRBITGB3
SCHEMBL13221826 0.84 MAPT (0.34) MAPTLMNATP53THRBITGB3
SCHEMBL2660669 0.84 MAPT (0.34) MAPTLMNATP53THRBITGB3
SCHEMBL2660338 0.83 MAPT (0.34) MAPTLMNATP53THRBITGB3
SCHEMBL2659344 0.83 MAPT (0.40) MAPTLMNATP53THRBITGB3
SCHEMBL13203933 0.83 MAPT (0.34) MAPTLMNATP53THRBITGB3
SCHEMBL2661454 0.82 ITGB3 (0.36) MAPTLMNATP53THRBITGB3

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-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 (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-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885LMNA 4727/4885TP53 2996/4885

“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.