SCHEMBL7076463

SCHEMBL7076463

O=C(Nc1ccccc1S(=O)(=O)NC(=O)c1ccccc1OCc1ccccc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
BCL2L1 Q07817 3/20 0.51
MCL1 Q07820 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47

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
SCHEMBL7052824 0.91 SMPD1 (0.62) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7045604 0.90 SMPD1 (0.61) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7076910 0.87 HDAC1 (0.59) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7049754 0.87 HDAC1 (0.48) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7045371 0.86 KMT2A (0.62) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7077931 0.86 HDAC1 (0.54) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7081910 0.86 HDAC8 (0.64) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7044608 0.85 SMPD1 (0.53) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7047751 0.85 SMPD1 (0.55) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7082518 0.84 SMPD1 (0.54) SMPD1NR1H4HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 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-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN SMPD1 760/4885NR1H4 1199/4885HDAC1 271/4885

“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.