SCHEMBL12040440

SCHEMBL12040440

CC(F)(F)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.69
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ ALDH1A1 P00352 5/20 0.60
▸ GAA P10253 4/20 0.60
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL728396 0.89 POLB (0.68) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL19425598 0.82 POLB (0.74) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL15702626 0.82 POLB (0.78) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL20009934 0.82 POLB (1.00) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL7822057 0.82 POLB (0.74) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL19425502 0.80 POLB (0.75) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL20705655 0.80 POLB (0.75) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL5862372 0.80 POLB (0.75) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL15702588 0.79 POLB (0.74) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL728496 0.79 POLB (0.74) POLBKMT2AMEN1ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 4020/4885KMT2A 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.

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