SCHEMBL13592802

SCHEMBL13592802

CC(C)CC(NC(=O)C(O)(F)F)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.51
FOLH1 Q04609 6/20 0.49
GRN P28799 4/20 0.48
SORT1 Q99523 4/20 0.48
LAP3 P28838 3/20 0.46
TP53 P04637 1/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44

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
SCHEMBL1535088 0.87 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL1535086 0.87 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL14436761 0.81 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL19083736 0.81 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL14530116 0.81 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11740805 0.79 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
Water SCHEMBL6544726 0.79 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11740799 0.79 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL13485069 0.78 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL13484743 0.78 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT

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-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-10 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-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G1B, PLA2G2E, PLA2G4A ALDH1A1 2466/4885MEN1 1413/4885LMNA 1642/4885

“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.