Sugi Predict

Sugi Predict / Compounds / SCHEMBL338299

SCHEMBL338299

SCHEMBL338299

CCOC(=O)c1cnc2cc(CNC(=O)OC(C)(C)C)c(Br)cn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ TGFBR1 P36897 2/20 0.37
▸ CPB2 Q96IY4 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ GLA P06280 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35

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
SCHEMBL1913167 0.83 TGFBR1 (0.44) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL338980 0.81 IDO1 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL339297 0.75 SUV39H2 (0.36) PIK3CDKDM4EHSD17B10CA12CA1
SCHEMBL30217988 0.74 PIK3CD (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL339442 0.73 NAMPT (0.40) KDM4ECA12CA1CA2CA9
SCHEMBL19188791 0.71 TGFBR1 (0.48) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL19794769 0.71 KDM4A (0.40) KDM4ECA12CA1CA2CA9
SCHEMBL29639462 0.71 KDM4A (0.40) KDM4ECA12CA1CA2CA9
SCHEMBL29492880 0.70 TGFBR1 (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL12850096 0.69 TGFBR1 (0.52) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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 PIK3CD 2458/4885PIK3R1 4015/4885PIK3CA 1666/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CD 2458/4885PIK3R1 4015/4885PIK3CA 1666/4885

“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.