SCHEMBL14132833

SCHEMBL14132833

CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.60
▸ CA9 Q16790 4/20 0.60
▸ CA12 O43570 3/20 0.60
▸ CA1 P00915 3/20 0.60
▸ MAPT P10636 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ KIF11 P52732 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TERT O14746 2/20 0.53
▸ CA4 P22748 1/20 0.52

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
SCHEMBL14133508 0.93 CA12 (0.58) CA2CA9CA12CA1MAPT
SCHEMBL14133644 0.90 CA1 (0.64) CA2CA9CA12CA1TERT
SCHEMBL14136237 0.87 NT5E (0.66) CA2CA9CA12CA1KDM4E
SCHEMBL14133484 0.86 KIF11 (0.74) CA2CA9CA12CA1KIF11
SCHEMBL14133398 0.85 MAOA (0.68) CA2CA9CA12CA1KIF11
SCHEMBL14133909 0.85 CA1 (0.58) CA2CA9CA12CA1KDM4E
SCHEMBL14136255 0.84 KIF11 (0.56) CA2CA9CA12CA1KDM4E
SCHEMBL14147820 0.84 NPC1 (0.64) CA2CA9CA12CA1KIF11
SCHEMBL14136238 0.83 ACHE (0.69) CA2CA9CA12CA1KDM4E
SCHEMBL14134004 0.83 PTGS2 (0.66) CA2CA9CA12CA1MAPT

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-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — 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-20120302609-A1 Pyrazolines for the Modulation of PKM2 PDK2, PDK4, PDK3 CA2 4225/4885CA9 4207/4885CA12 4776/4885

“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.

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