SCHEMBL728769

SCHEMBL728769

O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 4/20 0.74
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 7/20 0.67
HPGD P15428 2/20 0.61
GLA P06280 1/20 0.61
PKM P14618 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.58
FPR2 P25090 4/20 0.58
KDM4E B2RXH2 1/20 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
SCHEMBL727169 0.85 PPM1B (0.74) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL16374369 0.81 PPM1B (0.72) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL3924044 0.81 PPM1B (0.68) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL12040442 0.80 ALDH1A1 (0.70) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL3495475 0.78 ALDH1A1 (0.76) PPM1BKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL728496 0.76 POLB (0.74) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL9013063 0.74 ALDH1A1 (0.59) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL726901 0.74 FPR2 (1.00) PPM1BKMT2AMEN1ALDH1A1MAPT
SCHEMBL726819 0.72 FPR2 (1.00) ALDH1A1PKMFPR2
SCHEMBL23823001 0.72 ALDH1A1 (0.57) PPM1BKMT2AMEN1ALDH1A1HPGD

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 PPM1B 4595/4885KMT2A 4493/4885MEN1 2722/4885

“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.