Sugi Predict

Sugi Predict / Compounds / SCHEMBL987574

SCHEMBL987574

SCHEMBL987574

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(Cl)cc2ccn(CCOc3ccc(Cl)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ MMP12 P39900 2/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ VCP P55072 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL27837535 1.00 POLB (0.42) POLBCTDSP1TDP1MCL1MMP12
SCHEMBL12584706 0.91 L3MBTL1 (0.43) POLBCTDSP1TDP1MCL1TP53
SCHEMBL987576 0.87 MCL1 (0.38) MCL1TP53KCNH2FAAHBCHE
SCHEMBL12948746 0.86 PTGER4 (0.45) POLBCTDSP1TDP1MMP12CXCR3
SCHEMBL12585442 0.80 DRD2 (0.44) POLBCTDSP1TDP1VCPMEN1
SCHEMBL988293 0.79 VCP (0.40) VCPMEN1KMT2AP2RX7
SCHEMBL988831 0.79 VCP (0.43) POLBCTDSP1TDP1VCPKCNH2
SCHEMBL12585483 0.79 PTGER4 (0.45) MMP12VCP
SCHEMBL12583944 0.78 MEN1 (0.43) KCNH2MEN1KMT2AALDH1A1
SCHEMBL12583959 0.78 MCL1 (0.54) MCL1MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US claimed
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 — — CN claimed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 — — EP claimed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 — — US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 — — EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US disclosed
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 — — CN disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 — — EP disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 — — EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 — — 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 (1 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 POLB 4734/4885CTDSP1 3481/4885TDP1 4879/4885

“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.