SCHEMBL5058368

SCHEMBL5058368

Cc1ccc(C(=O)N(CC(F)CO)C(c2nc3sccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.61
KIF23 Q02241 1/20 0.55
MAP1LC3B Q9GZQ8 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL5065921 1.00 KIF11 (0.61) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5065922 1.00 KIF11 (0.61) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058375 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062445 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062764 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058399 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5058373 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062151 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062153 0.94 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5062366 0.89 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US claimed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
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 (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-20080102068-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B KIF11 9/4885KIF23 7/4885MAP1LC3B 104/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP KIF11 4860/4885KIF23 4706/4885MAP1LC3B 1196/4885

“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.