SCHEMBL5594668

SCHEMBL5594668

CCc1c(C(=O)O)nc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.55
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA4 P22748 2/20 0.54
CHRNA7 P36544 11/20 0.53
CYP2D6 P10635 1/20 0.53
CA12 O43570 1/20 0.50
PTGS1 P23219 1/20 0.49

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
SCHEMBL5594813 0.90 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5593948 0.86 PTGS2 (0.59) PTGS2CA1CA2CA9CA4
SCHEMBL5594704 0.86 PTGS2 (0.59) PTGS2CA1CA2CA9CA4
SCHEMBL738485 0.76 CNR1 (0.68)
SCHEMBL5594725 0.75 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5594133 0.75 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8636808 0.75 PTGS2 (0.74) PTGS2CA1CA2CA9CA4
SCHEMBL6389062 0.74 PTGS2 (0.65) PTGS2CA1CA2CA9CA4
SCHEMBL6393712 0.74 PTGS2 (0.65) PTGS2CA1CA2CA9CA4
SCHEMBL15988432 0.74 NR1H2 (0.46) PTGS2

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-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 PTGS2 107/4885CA1 4149/4885CA2 1792/4885

“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.