SCHEMBL14133328

SCHEMBL14133328

COCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ PKM P14618 4/20 0.67
▸ GAA P10253 3/20 0.67
▸ HTT P42858 2/20 0.67
▸ POLB P06746 2/20 0.67
▸ MAPT P10636 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GLA P06280 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ BCL2 P10415 3/20 0.54
▸ BECN1 Q14457 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ LMNA P02545 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
SCHEMBL14133948 0.90 MAPT (0.61) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133807 0.90 KDM4E (0.70) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133400 0.87 KDM4E (0.67) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133949 0.87 KDM4E (0.69) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133322 0.85 KMT2A (0.71) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133874 0.85 KDM4E (0.67) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133974 0.84 KDM4E (0.70) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133327 0.83 KDM4E (0.76) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133452 0.82 KDM4E (0.68) KDM4EALDH1A1PKMGAAHTT
SCHEMBL14133353 0.82 KDM4E (0.80) KDM4EALDH1A1PKMGAAHTT

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-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — US disclosed
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 KDM4E 376/4885ALDH1A1 2476/4885PKM 5/4885

“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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