SCHEMBL3582142

SCHEMBL3582142

COc1c(N2CC[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)ccc(C(=O)CC(=O)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KCNH2 Q12809 1/20 0.31
DRD2 P14416 6/20 0.31
PAK1 Q13153 1/20 0.31
LIPC P11150 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
ACACB O00763 1/20 0.31
DRD3 P35462 1/20 0.30
FFAR4 Q5NUL3 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
RBP4 P02753 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
SCHEMBL3575973 0.91 CYP3A4 (0.42) CYP3A4PIM1PIM3PIM2KCNH2
SCHEMBL3590136 0.88 CYP3A4 (0.35) CYP3A4PIM1PIM3PIM2DRD2
SCHEMBL3577931 0.78 KCNH2 (0.33) CYP3A4KCNH2DRD2LIPCLIPG
SCHEMBL3578342 0.76 MEN1 (0.35) DRD2DRD3
SCHEMBL482753 0.74 CYP3A4 (0.72) CYP3A4KCNH2
SCHEMBL3590072 0.73 CYP3A4 (0.57) CYP3A4KCNH2
SCHEMBL2078715 0.71 CYP3A4 (0.70) CYP3A4KCNH2
SCHEMBL2078716 0.71 CYP3A4 (0.70) CYP3A4KCNH2
SCHEMBL2268507 0.67 NPFFR1 (0.48)
SCHEMBL5768492 0.67 NPFFR1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 US disclosed
US-20060122396-A1 Method of selectively introducing amino substituent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-08 US disclosed
EP-1634879-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-15 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 (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-20060122396-A1 Method of selectively introducing amino substituent ASNS, NQO2, DDC CYP3A4 300/4885PIM1 2755/4885PIM3 2597/4885
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT ASNS, DDC, NQO2 CYP3A4 140/4885PIM1 2504/4885PIM3 2201/4885

“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.