SCHEMBL1690989

SCHEMBL1690989

CC(C)CC(NC(Cc1cnn(Cc2ccccc2)c1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.47
ACE2 Q9BYF1 4/20 0.47
ACACB O00763 2/20 0.45
SCD O00767 2/20 0.45
SCD5 Q86SK9 2/20 0.45
MME P08473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL8255494 0.81 MME (0.62) ACEACE2MMELTA4H
SCHEMBL5869326 0.81 MME (0.62) ACEACE2MMELTA4H
SCHEMBL8258735 0.81 MME (0.62) ACEACE2MMELTA4H
SCHEMBL8257978 0.81 MME (0.62) ACEACE2MMELTA4H
SCHEMBL5869393 0.79 HDAC1 (0.46) ACEACE2MMELTA4H
SCHEMBL8250258 0.79 HDAC1 (0.46) ACEACE2MMELTA4H
SCHEMBL5869400 0.79 HDAC1 (0.46) ACEACE2MMELTA4H
SCHEMBL5870075 0.79 HDAC1 (0.46) ACEACE2MMELTA4H
SCHEMBL5869448 0.79 HDAC1 (0.46) ACEACE2MMELTA4H
SCHEMBL3471108 0.78 L3MBTL1 (0.53) ACACBSCDSCD5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2012-01-12 US claimed
US-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-07-23 US claimed
WO-2009049022-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-04-16 WO claimed

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-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS AMY2A, PNLIP, ACE ACE 3/4885ACE2 6/4885ACACB 364/4885
US-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS AMY2A, PNLIP, ACE ACE 3/4885ACE2 6/4885ACACB 364/4885

“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.