SCHEMBL4455025

SCHEMBL4455025

CC(=O)Nc1cccc2c(S(=O)(=O)N3CCc4ccccc4C3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
TP53 P04637 1/20 0.51
AKR1C3 P42330 4/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL4445137 0.92 EDNRA (0.48) KMT2AESR1ESR2TP53AKR1C3
SCHEMBL4455037 0.77 KMT2A (0.60) KMT2AL3MBTL1ESR1ESR2AKR1C3
Hydrochloric Acid SCHEMBL4452980 0.76 KMT2A (0.59) KMT2AL3MBTL1ESR1ESR2AKR1C3
SCHEMBL3147733 0.72 HTR6 (0.70)
SCHEMBL7076183 0.72 KMT2A (0.58) KMT2AL3MBTL1AKR1C3MAPK1TSHR
SCHEMBL6073527 0.72 CASP6 (0.60) KMT2AMAPK1KDM4EMAPTMEN1
SCHEMBL15461567 0.72 EDNRA (0.54) KMT2AMAPK1KDM4EMAPTMEN1
SCHEMBL7076179 0.71 KMT2A (0.56) KMT2AL3MBTL1AKR1C3MAPK1TSHR
SCHEMBL7077474 0.71 KMT2A (0.63) KMT2AL3MBTL1AKR1C3MAPK1TSHR
SCHEMBL7076468 0.71 KMT2A (0.59) KMT2AL3MBTL1TP53AKR1C3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US disclosed
EP-1402890-B1 SULFONAMIDE DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2008-01-09 EP disclosed
US-20040234622-A1 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-11-25 US disclosed
EP-1402890-A1 SULFONAMIDE DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2004-03-31 EP 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-20040234622-A1 Sulfonamide derivatives PCNA, TOP2A, DDB1 KMT2A 460/4885L3MBTL1 2534/4885ESR1 1948/4885

“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.