SCHEMBL728487

SCHEMBL728487

COC(=O)C1C(C(=O)Nc2ccc(I)cc2)C2C=CC1C21CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 18/20 0.74
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FPR3 P25089 9/20 0.56

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
SCHEMBL728309 0.88 FPR2 (0.68) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL726622 0.88 FPR2 (0.68) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL2682405 0.87 FPR2 (0.74) FPR2FPR3
SCHEMBL726819 0.85 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL726568 0.84 FPR2 (1.00) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL2682592 0.80 FPR2 (0.66) FPR2FPR3
SCHEMBL2683448 0.80 FPR2 (0.60) FPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL855038 0.80 FPR2 (0.66) FPR2FPR3
SCHEMBL2683064 0.79 FPR2 (0.60) FPR2FPR3
SCHEMBL2681993 0.77 FPR2 (0.50) FPR2FPR3

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
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 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 (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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 FPR2 2/4885ALDH1A1 1981/4885SMN1; SMN2 4723/4885

“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.