SCHEMBL30196375

SCHEMBL30196375

CCSC(=O)C(CC(=O)c1ccc(OC)c(OC)c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CTNNB1 P35222 2/20 0.45
▸ WNT3A P56704 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL30196208 0.92 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19283064 0.81 CA12 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1348099 0.78 PTPN1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23409917 0.76 PDE4D (0.49) MAPTTSHRCTNNB1WNT3AKDM4E
SCHEMBL19283071 0.74 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17713574 0.74 KDM4E (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29555877 0.72 PDE4D (0.62) MAPTALDH1A1TSHRCTNNB1WNT3A
SCHEMBL11045658 0.72 PDE4D (0.62) MAPTALDH1A1TSHRCTNNB1WNT3A
SCHEMBL11094252 0.72 CA12 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29578705 0.70 MEN1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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 1 patent. 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

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 HDAC3 642/4885HDAC4 2337/4885HDAC1 1620/4885

“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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