SCHEMBL19283064

SCHEMBL19283064

COc1ccc(C(=O)CC(C(O)=S)C(F)(F)F)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ TPMT P51580 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48

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 0.92 KDM4E (0.48) CA12CA1CA2CA4CA6
SCHEMBL17713572 0.82 L3MBTL1 (0.50) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL30196375 0.81 HDAC3 (0.54) CA12CA1CA2CA4CA6
SCHEMBL23409917 0.79 PDE4D (0.49) TSHRMAPTCTNNB1WNT3AKDM4E
SCHEMBL19283069 0.77 KMT2A (0.47) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11045658 0.75 PDE4D (0.62) CA12CA1CA2CA4CA6
SCHEMBL29555877 0.75 PDE4D (0.62) CA12CA1CA2CA4CA6
SCHEMBL5186546 0.75 PDPK1 (0.54) HDAC1HDAC8MAPTALDH1A1
SCHEMBL19838378 0.75 ALDH1A1 (0.64) CA12CA1CA2CA4CA6
SCHEMBL11094252 0.75 CA12 (0.57) CA12CA1CA2CA4CA6

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
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
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

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 CA12 4824/4885CA1 4876/4885CA2 1197/4885
US-20170247335-A1 FLUORINATED PYRIDAZIN-3-ONES FOR THE USE THEREOF IN THE TREATMENT OF LUNG DISEASES PEX3, NCOA3, NCAPD3 CA12 1685/4885CA1 4393/4885CA2 874/4885

“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.

Send feedback