SCHEMBL4110686

SCHEMBL4110686

CCOC(=O)CC1OC(c2ccccc2C(F)(F)F)c2cc(Cl)ccc2NC1=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL4110680 1.00 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1SMAPK1
SCHEMBL4110688 1.00 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1SMAPK1
SCHEMBL4113423 0.91 CACNA1C (0.39) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL4113427 0.91 CACNA1C (0.39) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL4113431 0.91 CACNA1C (0.39) CACNA1CCACNA1FCACNA1DCACNA1SMEN1
SCHEMBL13775882 0.91 FDFT1 (0.39) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13775856 0.87 MEN1 (0.36) CACNA1CCACNA1FCACNA1DCACNA1SMAPK1
SCHEMBL13743334 0.85 DHFR (0.41) MAPK1MEN1ALDH1A1MAPTPKM
SCHEMBL13775877 0.85 DHFR (0.41) MAPK1MEN1ALDH1A1MAPTPKM
SCHEMBL13775978 0.85 CHRM1 (0.39) MAPK1MEN1ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CACNA1C 2898/4885CACNA1F 3425/4885CACNA1D 2950/4885

“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.