SCHEMBL6507544

SCHEMBL6507544

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 3/20 0.39
ITK Q08881 1/20 0.38
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 3/20 0.38
CA4 P22748 2/20 0.36
CA7 P43166 1/20 0.36
IKBKB O14920 1/20 0.36
CFTR P13569 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 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
SCHEMBL6499749 0.90 ITK (0.41) NAMPTITKABCC9ABCC8KCNJ11
SCHEMBL6469876 0.88 HSD11B1 (0.42) NAMPTCA2CA1CA9CA12
SCHEMBL6468270 0.86 CA9 (0.48) CA2CA1CA9CA12ITK
SCHEMBL6468046 0.82 ITK (0.43) CA2CA1CA9CA12ITK
SCHEMBL6502246 0.81 ITK (0.44) CA2CA1ITKLMNAALDH1A1
SCHEMBL6467588 0.81 ABCC9 (0.42) NAMPTCA2CA1CA9CA12
SCHEMBL6467527 0.81 KDM4E (0.47) CA2CA1CA9CA12ITK
SCHEMBL6506095 0.79 ITK (0.39) ITKMAPTRXFP1LMNAALDH1A1
SCHEMBL6470611 0.79 ITK (0.40) CA2CA1ITKMAPTCA4
SCHEMBL6470265 0.79 ITK (0.42) NAMPTCA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 NAMPT 3188/4885CA2 3703/4885CA1 3159/4885

“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.