SCHEMBL7076342

SCHEMBL7076342

O=C(Nc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.60
PTGS1 P23219 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
HDAC2 Q92769 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7081192 0.85 PTGS1 (0.51) PTGS1CA1CA2NPC1RAB9A
SCHEMBL7081195 0.85 PTGS1 (0.51) PTGS1CA1CA2NPC1RAB9A
SCHEMBL7052354 0.84 PTGES (0.56) PTGESCA1CA2NPC1RAB9A
SCHEMBL7049852 0.83 PTGES (0.58) PTGESCA1CA2
SCHEMBL2805760 0.82 PTGES (0.79) PTGESPTGS1CA1CA2NPC1
SCHEMBL7080296 0.82 PTGES (0.58) PTGESNPC1RAB9ALMNAHDAC6
SCHEMBL7080760 0.82 NPC1 (0.59) NPC1RAB9ARXFP1HDAC2BCL2L1
SCHEMBL7052309 0.81 PTGES (0.56) PTGESCA1CA2LMNA
SCHEMBL7077602 0.78 PTGES (0.53) PTGESCA1CA2LMNA
SCHEMBL7050682 0.78 PTGES (0.53) PTGESCA1CA2LMNA

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 PTGES 3406/4885PTGS1 1713/4885CA1 2192/4885

“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.