SCHEMBL14133355

SCHEMBL14133355

CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)CC1c1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.74
▸ ALDH1A1 P00352 6/20 0.74
▸ PKM P14618 6/20 0.74
▸ MAPT P10636 2/20 0.74
▸ GLA P06280 3/20 0.71
▸ GAA P10253 3/20 0.71
▸ HPGD P15428 2/20 0.60
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL14133805 0.93 KDM4E (0.71) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133539 0.91 ALDH1A1 (0.75) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133770 0.88 KDM4E (0.83) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133935 0.88 KDM4E (0.83) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133533 0.85 KDM4E (0.71) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133536 0.85 PKM (1.00) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133277 0.83 KDM4E (1.00) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133452 0.83 KDM4E (0.68) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133394 0.83 KDM4E (0.68) KDM4EALDH1A1PKMMAPTGLA
SCHEMBL14133395 0.82 ALDH1A1 (0.74) KDM4EALDH1A1PKMMAPTGLA

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
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — WO disclosed
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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