Sugi Predict

Sugi Predict / Compounds / SCHEMBL4170972

SCHEMBL4170972

SCHEMBL4170972

CCOC(=O)c1cc(F)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ OPRK1 P41145 2/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ P2RY12 Q9H244 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL3327301 0.90 MAPT (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10306721 0.84 MAPT (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5025129 0.83 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6800240 0.82 L3MBTL1 (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3328623 0.81 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4171799 0.81 ALDH1A1 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6795770 0.80 MEN1 (0.53) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3326910 0.79 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4994166 0.78 MAPT (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3208916 0.76 P2RY12 (0.62) MAPTKDM4EALDH1A1KMT2ALMNA

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
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 — — WO disclosed
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 MAPT 3645/4885KDM4E 3427/4885ALDH1A1 1717/4885
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 MAPT 4725/4885KDM4E 2864/4885ALDH1A1 2394/4885

“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.