SCHEMBL338980

SCHEMBL338980

CCOC(=O)c1cnc2cc(CNC(=O)OC(C)(C)C)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
F11 P03951 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
SCHEMBL337927 0.90 IDO1 (0.39) IDO1CNR1CNR2MAPTKDM4E
SCHEMBL1913168 0.85 MAPT (0.44) IDO1DPP4DPP8DPP9MAPT
SCHEMBL338256 0.85 IDO1 (0.40) IDO1CNR1CNR2MAPTKDM4E
SCHEMBL339005 0.85 IDO1 (0.40) IDO1DPP4DPP8DPP9CNR1
SCHEMBL338299 0.81 PIK3CD (0.38) IDO1KDM4EALDH1A1HPGDGAA
SCHEMBL338979 0.80 DPP4 (0.40) IDO1DPP4DPP8DPP9CNR1
SCHEMBL339213 0.80 IDO1 (0.38) IDO1DPP4MAPTKDM4EALDH1A1
SCHEMBL339781 0.80 ALDH1A1 (0.38) IDO1DPP4DPP8DPP9MAPT
SCHEMBL339323 0.80 ALDH1A1 (0.38) IDO1MAPTKDM4EALDH1A1HPGD
SCHEMBL339441 0.79 IDO1 (0.41) IDO1CNR1CNR2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC IDO1 1621/4885DPP4 120/4885DPP8 403/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC IDO1 1621/4885DPP4 120/4885DPP8 403/4885

“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.