SCHEMBL8166482

SCHEMBL8166482

O=C(O)[C@@H]1C[C@@H](OCc2ccc(Cl)cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 9/20 0.42
▸ FABP7 O15540 2/20 0.41
▸ FABP5 Q01469 2/20 0.41
▸ FFAR2 O15552 2/20 0.40
▸ BCHE P06276 2/20 0.38
▸ MMP9 P14780 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ BDKRB2 P30411 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36

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
SCHEMBL21553619 0.93 AGTR2 (0.48) AGTR2FABP7FABP5MMP9KMT2A
SCHEMBL16095440 0.93 AGTR2 (0.48) AGTR2FABP7FABP5MMP9KMT2A
SCHEMBL21874030 0.93 AGTR2 (0.48) AGTR2FABP7FABP5MMP9KMT2A
SCHEMBL31210291 0.93 AGTR2 (0.48) AGTR2FABP7FABP5MMP9KMT2A
SCHEMBL5963754 0.93 AGTR2 (0.48) AGTR2FABP7FABP5MMP9KMT2A
SCHEMBL12649496 0.89 AGTR2 (0.41) AGTR2FABP7FABP5L3MBTL1KMT2A
SCHEMBL16277190 0.86 FFAR2 (0.45) AGTR2FFAR2L3MBTL1S1PR5
SCHEMBL25358048 0.86 FABP5 (0.42) AGTR2FABP7FABP5FFAR2L3MBTL1
SCHEMBL29400879 0.85 AGTR2 (0.43) AGTR2FABP7FABP5KMT2A
SCHEMBL31080808 0.84 FABP5 (0.42) AGTR2FABP7FABP5ALDH1A1KMT2A

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
EP-2279777-A2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-02-02 — — EP disclosed
US-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-07-24 — — US disclosed
US-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-07-24 — — US disclosed
WO-2008085608-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 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 (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-20080176901-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 AGTR2 1121/4885FABP7 2571/4885FABP5 3356/4885

“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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