Sugi Predict

Sugi Predict / Compounds / SCHEMBL339031

SCHEMBL339031

SCHEMBL339031

CC(C)COc1c(CNC(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.38
▸ AAK1 Q2M2I8 4/20 0.37
▸ IDO1 P14902 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1911560 0.85 PTGER1 (0.33) PTGER1AAK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL340301 0.81 DPP4 (0.40) SMN1; SMN2ALDH1A1HPGDHTTPOLB
SCHEMBL338256 0.78 IDO1 (0.40) IDO1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL339005 0.69 IDO1 (0.40) IDO1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL339219 0.69 IDO1 (0.47) IDO1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL337927 0.69 IDO1 (0.39) IDO1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL339832 0.67 DPP4 (0.49) PTGER1SMN1; SMN2HPGDHTTTP53
SCHEMBL339388 0.67 DPP4 (0.43) SMN1; SMN2KDM4EMEN1KMT2ACNR2
SCHEMBL339524 0.67 EPHX2 (0.46) IDO1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL339441 0.66 IDO1 (0.41) IDO1SMN1; SMN2ALDH1A1HPGDHTT

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 10 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
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 — — EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 — — WO 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 PTGER1 722/4885AAK1 3307/4885IDO1 1621/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PTGER1 722/4885AAK1 3307/4885IDO1 1621/4885

“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.