SCHEMBL10023942

SCHEMBL10023942

O=C(O)c1ccccc1C(=O)NC(CCCO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 3/20 0.52
PADI3 Q9ULW8 3/20 0.52
PADI4 Q9UM07 3/20 0.52
PADI2 Q9Y2J8 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.42
C3AR1 Q16581 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PYGL P06737 1/20 0.40

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
SCHEMBL9134702 0.87 CA2 (0.53) PADI1PADI3PADI4PADI2HTT
SCHEMBL4775097 0.83 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL29772335 0.83 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL30615313 0.83 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL30615312 0.83 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL845137 0.83 PYGL (0.50) PADI1PADI3PADI4HTTKMT2A
SCHEMBL4775100 0.83 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL10023118 0.81 KMT2A (0.57) PADI1PADI3PADI4PADI2KMT2A
SCHEMBL30056283 0.80 CA1 (0.49) PADI1PADI3PADI4KMT2AAPEX1
SCHEMBL2331801 0.79 PADI1 (0.44) PADI1PADI3PADI4PADI2KMT2A

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-20120142734-A1 METHODS FOR TREATING TUMORS WITH THALIDOMIDE THE CHILDREN'S MEDICAL CENTER CORPORATION 2012-06-07 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-20120142734-A1 METHODS FOR TREATING TUMORS WITH THALIDOMIDE PGF, FLT4, HIF1AN PADI1 3765/4885PADI3 3466/4885PADI4 3242/4885

“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.