SCHEMBL5067455

SCHEMBL5067455

CC(C)[C@@H](NC[C@H](F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1nc2sccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.33
ERCC1 P07992 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
PDE1C Q14123 4/20 0.32
POLB P06746 3/20 0.31
MAPK1 P28482 2/20 0.31
RAB9A P51151 1/20 0.31
PDE1B Q01064 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5062358 1.00 KIF11 (0.38) KIF11MAPTKDM4EGAANPSR1
SCHEMBL5067454 1.00 KIF11 (0.38) KIF11MAPTKDM4EGAANPSR1
SCHEMBL4317700 0.85 HIF1A (0.35) MAPTKDM4EKMT2APDE1CPOLB
SCHEMBL4317698 0.85 HIF1A (0.35) MAPTKDM4EKMT2APDE1CPOLB
SCHEMBL4288291 0.85 KIF11 (0.42) KIF11KDM4EPDE1C
SCHEMBL4317703 0.85 HIF1A (0.35) MAPTKDM4EKMT2APDE1CPOLB
SCHEMBL5504060 0.82 KIF11 (0.33) KIF11KMT2AERCC1ERCC5FEN1
SCHEMBL5058380 0.78 KIF11 (0.53) KIF11
SCHEMBL5065963 0.78 KIF11 (0.53) KIF11
SCHEMBL5065968 0.78 KIF11 (0.53) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080102068-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-05-01 US disclosed
EP-1856128-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078574-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 WO 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-20080102068-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B KIF11 9/4885MAPT 193/4885KDM4E 578/4885

“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.