SCHEMBL13637267

SCHEMBL13637267

CCOC(=O)c1nc(-c2ccc(C[C@@H](CCCC(C)(C)[Si](O)(c3ccccc3)c3ccccc3)NC(=O)OC(C)(C)C)cc2)cn1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ADORA1 P30542 1/20 0.35
PTPRB P23467 1/20 0.35
APP P05067 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
CYP3A4 P08684 4/20 0.33
MAPT P10636 1/20 0.33
AKT1 P31749 1/20 0.33
MDM2 Q00987 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL2630530 1.00 ATM (0.38) ATMTSHRCTSSCTSKADORA1
SCHEMBL10269479 0.93 ATM (0.37) ATMTSHRCTSSCTSKADORA1
SCHEMBL2630644 0.92 ATM (0.38) ATMTSHRCTSSCTSKADORA1
SCHEMBL14873596 0.92 ATM (0.41) ATMCTSSCTSKPTPRBAPP
SCHEMBL2631766 0.91 ATM (0.40) ATMCTSSCTSKPTPRBAPP
SCHEMBL13612571 0.91 ATM (0.36) ATMTSHRCTSSCTSKADORA1
SCHEMBL2631416 0.87 ATM (0.38) ATMTSHRCTSSCTSKPTPRB
SCHEMBL2617392 0.85 ADORA1 (0.38) ATMTSHRCTSSCTSKADORA1
SCHEMBL2617421 0.85 ADORA1 (0.38) ATMTSHRCTSSCTSKADORA1
SCHEMBL2617429 0.85 ATM (0.38) ATMTSHRCTSSCTSKADORA1

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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 ATM 1110/4885TSHR 4714/4885CTSS 1766/4885

“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.