SCHEMBL5847071

SCHEMBL5847071

CN1c2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54

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
SCHEMBL5847068 1.00 ACE (0.54) ACE
SCHEMBL4278365 1.00 ACE (0.54) ACE
Guanidine SCHEMBL8691609 0.91 ACE (0.47) ACE
Guanidine SCHEMBL8690711 0.91 ACE (0.47) ACE
SCHEMBL3365538 0.87 NOTUM (0.49) ACE
SCHEMBL8278527 0.86 NOTUM (0.51) ACE
SCHEMBL10116501 0.86 NOTUM (0.51) ACE
SCHEMBL12626587 0.84 XIAP (0.47) ACE
SCHEMBL4271426 0.83 ACE (0.56) ACE
SCHEMBL14610927 0.81 ACE (0.47) ACE

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
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 ACE 248/4885
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS DDB1, CASP3, BAD ACE 3730/4885

“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.