SCHEMBL12440458

SCHEMBL12440458

COC(=O)Cc1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.58
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
ALDH1A1 P00352 1/20 0.50
FDFT1 P37268 1/20 0.49
FAAH O00519 3/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
SLC7A5 Q01650 1/20 0.47
DAGLA Q9Y4D2 1/20 0.46
CNR1 P21554 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL5213552 0.88 SLC7A5 (0.55) ALDH1A1FAAHSLC7A5
Methane SCHEMBL27618790 0.87 SLC7A5 (0.54) ALDH1A1FAAHSLC7A5
SCHEMBL9262220 0.85 PPARG (0.56) P2RX3PPARGPPARAALDH1A1FDFT1
SCHEMBL6446114 0.85 KMT2A (0.56) ALDH1A1LMNALTA4HEPHX2
SCHEMBL1421946 0.84 PPARG (0.61) P2RX3PPARGPPARAFAAHLMNA
SCHEMBL5726261 0.82 ALDH1A1 (0.48) P2RX3ALDH1A1FAAHLMNASLC7A5
SCHEMBL5205823 0.81 PPARG (0.57) P2RX3PPARGPPARA
SCHEMBL378705 0.80 SMN1; SMN2 (0.61) ALDH1A1SLC7A5
SCHEMBL378633 0.80 SLC7A5 (0.55) ALDH1A1EPHX2SLC7A5
SCHEMBL31249652 0.80 SMN1; SMN2 (0.61) ALDH1A1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 P2RX3 450/4885PPARG 3950/4885PPARA 4171/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 P2RX3 476/4885PPARG 3960/4885PPARA 4175/4885

“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.