SCHEMBL4522733

SCHEMBL4522733

CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
POLB P06746 2/20 0.57
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.47
MITF O75030 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BDKRB1 P46663 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 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
SCHEMBL4521821 0.87 KMT2A (1.00) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL3534971 0.85 ALDH1A1 (0.76) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL3534966 0.85 ALDH1A1 (0.76) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL4513013 0.83 ALDH1A1 (0.72) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL4513008 0.83 ALDH1A1 (0.72) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL5982477 0.75 ALDH1A1 (0.74) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL5982557 0.75 ALDH1A1 (0.74) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL5984080 0.75 ALDH1A1 (0.74) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL5804011 0.72 ALDH1A1 (0.56) KMT2AALDH1A1MAPTPOLBCYP3A4
SCHEMBL5804014 0.72 ALDH1A1 (0.56) KMT2AALDH1A1MAPTPOLBCYP3A4

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-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS KMT2A 2982/4885ALDH1A1 184/4885MAPT 3351/4885

“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.