SCHEMBL23409917

SCHEMBL23409917

COc1cc(C(=O)CC(C(=O)S)C(F)(F)F)ccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 7/20 0.49
▸ PDE4A P27815 6/20 0.49
▸ PDE4B Q07343 6/20 0.49
▸ PDE4C Q08493 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42

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
SCHEMBL17713574 0.88 KDM4E (0.48) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL30196208 0.85 HDAC3 (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL19283064 0.79 CA12 (0.49) PDE4DPDE4BKDM4EGAARAB9A
SCHEMBL9204477 0.78 KDM4E (0.54) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL30196375 0.76 HDAC3 (0.54) PDE4BKDM4EGAATSHRMAPK1
SCHEMBL2564619 0.74 CA12 (0.71) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL29892240 0.74 KDM4E (0.59) KDM4EHTTPOLBGAARAB9A
SCHEMBL7362278 0.74 KDM4E (0.59) KDM4EHTTPOLBGAARAB9A
SCHEMBL3738587 0.73 MAPT (0.64) KDM4EHTTPOLBGAARAB9A
SCHEMBL4696721 0.73 KDM4E (0.58) PDE4DPDE4APDE4BPDE4CKDM4E

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-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-01-19 — — US disclosed
WO-2021105641-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2021-06-03 — — WO 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-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B PDE4D 846/4885PDE4A 513/4885PDE4B 712/4885

“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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