SCHEMBL4112348

SCHEMBL4112348

COc1cccc([C@@H]2S[C@@H](CC(=O)O)C(=O)Nc3ccc(Cl)cc32)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SLC8B1 Q6J4K2 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
RAB9A P51151 1/20 0.38
FDFT1 P37268 4/20 0.38

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
SCHEMBL4112359 1.00 CDYL2 (0.46) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4112353 1.00 CDYL2 (0.46) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4111277 0.91 CDYL2 (0.47) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4111286 0.91 CDYL2 (0.47) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4111282 0.91 CDYL2 (0.47) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL13776052 0.91 CDYL2 (0.46) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4123256 0.90 CDYL2 (0.46) CDYL2CDYLMAPTFDFT1
SCHEMBL4122841 0.90 CDYL2 (0.46) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4122849 0.90 CDYL2 (0.46) CDYL2CDYLMAPTMEN1KMT2A
SCHEMBL4123249 0.90 CDYL2 (0.46) CDYL2CDYLMAPTFDFT1

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 CDYL2 1908/4885CDYL 1152/4885MAPT 4428/4885

“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.