SCHEMBL1655482

SCHEMBL1655482

CC(C)C[C@@H](C(=O)O)N(CCc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.59
ACE P12821 3/20 0.59
CYP11B1 P15538 13/20 0.41
CYP11B2 P19099 13/20 0.41
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL1655470 1.00 ACE2 (0.59) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL7384406 0.94 ACE2 (0.54) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1656651 0.91 CYP11B1 (0.52) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL3681437 0.91 ACE2 (0.48) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7531327 0.90 ACE2 (0.52) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7382789 0.89 ACE2 (0.46) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7424859 0.88 ACE2 (0.51) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7422079 0.88 ACE2 (0.45) ACE2ACECYP11B1CYP11B2
SCHEMBL7391521 0.88 ACE2 (0.45) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1655465 0.87 ACE2 (0.45) ACE2ACECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011513491-A 2011-04-28 JP claimed
EP-2262491-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2010-12-22 EP claimed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO claimed
WO-2009114516-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2009-09-17 WO claimed
WO-2021202399-A1 METHODS OF TREATING CORONAVIRUS INFECTIONS USING ANGIOTENSIN-CONVERTING ENZYME 2 INHIBITORS KUMUDA, INC. (US) 2021-10-07 WO disclosed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 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-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same DNPEP, PEPD, VIP ACE2 91/4885ACE 24/4885CYP11B1 1535/4885

“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.