SCHEMBL6846072

SCHEMBL6846072

NS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.54
CA2 P00918 12/20 0.52
CA1 P00915 10/20 0.52
CA9 Q16790 7/20 0.50
CA12 O43570 6/20 0.50
KIF11 P52732 1/20 0.50
SYK P43405 1/20 0.49
LRRK2 Q5S007 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA13 Q8N1Q1 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL2304522 0.85 KIF11 (0.46) PTGES2CA2CA1CA9CA12
SCHEMBL14120723 0.83 CA1 (0.45) PTGES2CA2CA1KIF11MMP1
SCHEMBL12070485 0.83 KIF11 (0.54) PTGES2CA2CA1CA9CA12
SCHEMBL29705239 0.80 CA2 (0.65) PTGES2CA2CA1CA9CA12
SCHEMBL962772 0.80 CA2 (0.65) PTGES2CA2CA1CA9CA12
SCHEMBL28032548 0.80 CA2 (0.73) PTGES2CA2CA1CA9CA12
SCHEMBL3568812 0.79 PTGES2 (0.50) PTGES2CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL29969413 0.79 CA2 (0.63) PTGES2CA2CA1CA9CA12
SCHEMBL8043466 0.79 CA2 (0.63) PTGES2CA2CA1CA9CA12
Potassium SCHEMBL8043470 0.79 CA2 (0.63) PTGES2CA2CA1CA9CA12

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-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 PTGES2 1737/4885CA2 869/4885CA1 695/4885

“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.