SCHEMBL17713574

SCHEMBL17713574

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ PDE4D Q08499 6/20 0.47
▸ PDE4A P27815 5/20 0.47
▸ PDE4B Q07343 5/20 0.47
▸ PDE4C Q08493 5/20 0.47
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41

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
SCHEMBL19283064 0.92 CA12 (0.49) KDM4EPDE4DPDE4BGAARAB9A
SCHEMBL23409917 0.88 PDE4D (0.49) KDM4EHTTPDE4DPDE4APDE4B
SCHEMBL30196208 0.83 HDAC3 (0.46) KDM4EHTTPDE4DPDE4APDE4B
SCHEMBL19283080 0.79 HDAC3 (0.49) KDM4EHTTPOLBRAB9ANPC1
SCHEMBL17713572 0.77 L3MBTL1 (0.50) PDE4BGAARAB9ANPC1MAPK1
SCHEMBL9204477 0.76 KDM4E (0.54) KDM4EHTTPDE4DPDE4APDE4B
SCHEMBL2564619 0.75 CA12 (0.71) KDM4EHTTPDE4DPDE4APDE4B
SCHEMBL30196375 0.74 HDAC3 (0.54) KDM4EPDE4BGAATSHRMAPK1
SCHEMBL19283069 0.73 KMT2A (0.47) POLBGAARAB9ANPC1SMN1; SMN2
SCHEMBL7362278 0.72 KDM4E (0.59) KDM4EHTTPOLBGAARAB9A

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 5 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
EP-3212190-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES Université De Reims Champagne-Ardenne (FR) 2017-09-06 — — EP disclosed
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-31 — — US disclosed
WO-2016066973-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2016-05-06 — — 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 (2 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 KDM4E 4471/4885HTT 2276/4885PDE4D 846/4885
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 KDM4E 4650/4885HTT 3609/4885PDE4D 3557/4885

“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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