SCHEMBL1769892

SCHEMBL1769892

CCOC(=O)C(=O)Cc1cccnc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.40
METAP1 P53582 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 2/20 0.38
NAMPT P43490 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL28028757 0.88 MAPT (0.44) MAPTMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL29919808 0.84 METAP1 (0.45) HTTMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL69347 0.84 METAP1 (0.45) HTTMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL7410153 0.83 METAP1 (0.41) HTTMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL23930139 0.83 CTDSP1 (0.48) CTDSP1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL16766552 0.83 KDM4E (0.47) MAPTCYP1A2HTTMETAP1NPC1
SCHEMBL2696598 0.81 GRM5 (0.46) HTTMETAP1RAB9AHPGDNAMPT
SCHEMBL7408740 0.81 METAP1 (0.40) CYP3A4METAP1NPC1RAB9AHPGD
SCHEMBL27703346 0.80 METAP1 (0.44) CYP3A4METAP1NPC1RAB9APOLB
SCHEMBL2695265 0.79 METAP1 (0.42) METAP1HPGDNAMPTKDM4ECYP17A1

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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LES LABORATOIRES SERVIER (FR) 2011-05-12 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-20110112104-A1 TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BAX, CASP3, BCL2 CTDSP1 951/4885MAPT 2513/4885MAPK1 2903/4885

“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.