SCHEMBL728702

SCHEMBL728702

O=C(O)C1C(C(=O)Nc2ccc(Cl)c(Cl)c2)C2C=CC1C21CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
FPR2 P25090 14/20 0.67
PKM P14618 1/20 0.52
FPR3 P25089 7/20 0.51

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
SCHEMBL20013750 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL20013751 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL728776 0.82 FPR2 (0.67) ALDH1A1SMN1; SMN2FPR2FPR3
SCHEMBL726966 0.81 FPR2 (0.78) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL727476 0.81 FPR2 (0.77) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL855215 0.80 FPR2 (1.00) ALDH1A1SMN1; SMN2FPR2FPR3
SCHEMBL726819 0.80 FPR2 (1.00) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL12040473 0.80 FPR2 (0.76) ALDH1A1SMN1; SMN2FPR2PKMFPR3
SCHEMBL2682702 0.80 FPR2 (1.00) ALDH1A1SMN1; SMN2FPR2FPR3
SCHEMBL2683879 0.80 FPR2 (1.00) ALDH1A1SMN1; SMN2FPR2FPR3

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 ALDH1A1 1981/4885SMN1; SMN2 4723/4885FPR2 2/4885

“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.