SCHEMBL6210505

SCHEMBL6210505

CC(C)(C)OC(=O)NCc1cc(Cl)ccc1OCC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ GAA P10253 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 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
SCHEMBL3730313 0.83 MAPT (0.45) PTGER1CYP2C9IDO1GAAANO1
SCHEMBL7372767 0.83 MAPT (0.58) PTGER1CYP2C9IDO1MAPT
SCHEMBL7257883 0.82 IDO1 (0.46) PTGER1CYP2C9IDO1GAAANO1
SCHEMBL7259247 0.81 IDO1 (0.45) PTGER1CYP2C9IDO1GAAANO1
SCHEMBL3326428 0.81 KMT2A (0.45) PTGER1CYP2C9CTSLGAAMEN1
SCHEMBL30386539 0.81 PRMT5 (0.47) CTSLIDO1GAAANO1MEN1
SCHEMBL7404608 0.81 F2 (0.54) PTGER1CYP2C9GAAANO1CYP1A2
SCHEMBL7254334 0.81 IDO1 (0.44) PTGER1CYP2C9IDO1GAAMEN1
SCHEMBL3854487 0.80 IDO1 (0.45) PTGER1CYP2C9IDO1GAAANO1
SCHEMBL7254326 0.80 KDM4E (0.48) PTGER1CYP2C9IDO1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 — — US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 — — US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 — — EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 — — 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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 PTGER1 230/4885CYP2C9 4523/4885CTSL 3120/4885

“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.

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