Sugi Predict

Sugi Predict / Compounds / SCHEMBL4179538

SCHEMBL4179538

SCHEMBL4179538

CC(C)(C)OC(=O)C1CCN(c2nc(CN3CCCC3=O)c(C(=O)O)cc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RY12 Q9H244 13/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4170318 0.97 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4164295 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4183233 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4168148 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4172577 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4180538 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4164288 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4172207 0.90 P2RY12 (0.46) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4183009 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1HPGDL3MBTL1
SCHEMBL4737215 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 — — US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 — — US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 — — 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 ALDH1A1 1717/4885KDM4E 3427/4885MAPK1 606/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 ALDH1A1 2394/4885KDM4E 2864/4885MAPK1 1085/4885

“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.