SCHEMBL726965

SCHEMBL726965

O=C(O)C1C(C(=O)Nc2cccc(C(F)(F)F)c2)C2C=CC1C21CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
FPR3 P25089 2/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL728642 0.84 FPR2 (0.58) FPR2SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL727476 0.82 FPR2 (0.77) FPR2SMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL20013751 0.82 ALDH1A1 (0.73) FPR2SMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL20009932 0.82 PKM (0.63) FPR2SMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL728702 0.76 ALDH1A1 (0.74) FPR2SMN1; SMN2ALDH1A1PKMFPR3
SCHEMBL726797 0.76 FPR2 (0.70) FPR2SMN1; SMN2ALDH1A1PKMFPR3
SCHEMBL726612 0.75 FPR2 (0.72) FPR2SMN1; SMN2ALDH1A1PKMFPR3
SCHEMBL726979 0.75 FPR2 (0.66) FPR2SMN1; SMN2ALDH1A1PKMFPR3
SCHEMBL728698 0.75 FPR2 (0.74) FPR2SMN1; SMN2ALDH1A1PKMFPR3
SCHEMBL726966 0.75 FPR2 (0.78) FPR2SMN1; SMN2ALDH1A1PKMMEN1

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

“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.