SCHEMBL7080533

SCHEMBL7080533

CC/C=C/CC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SLC16A3 O15427 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PLK1 P53350 3/20 0.35
PLK3 Q9H4B4 3/20 0.35

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
SCHEMBL7049828 1.00 PTGES (0.49) PTGESCA1CA2SLC16A3NPC1
SCHEMBL7048492 0.82 PTGES (0.50) PTGESCA1CA2NPC1RAB9A
SCHEMBL7051034 0.82 PTGES (0.49) PTGESCA1CA2NPC1RAB9A
SCHEMBL7049852 0.81 PTGES (0.58) PTGESCA1CA2SLC16A3MEN1
SCHEMBL7080836 0.81 PTGES (0.48) PTGESCA1CA2SLC16A3NPC1
SCHEMBL7052354 0.79 PTGES (0.56) PTGESCA1CA2SLC16A3NPC1
SCHEMBL7052309 0.79 PTGES (0.56) PTGESCA1CA2SLC16A3
SCHEMBL7048197 0.78 PTGES (0.49) PTGESCA1CA2NPC1RAB9A
SCHEMBL7077602 0.76 PTGES (0.53) PTGESCA1CA2SLC16A3ALDH1A1
SCHEMBL7050682 0.76 PTGES (0.53) PTGESCA1CA2SLC16A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
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 (2 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 PTGES 3406/4885CA1 2192/4885CA2 2304/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 PTGES 2159/4885CA1 2426/4885CA2 831/4885

“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.