SCHEMBL24309451

SCHEMBL24309451

CN1CCC(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(Cl)c3CC(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.35
▸ PTK2 Q05397 3/20 0.33
▸ MAP4K1 Q92918 2/20 0.33
▸ MAP4K3 Q8IVH8 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL29567027 1.00 BRD4 (0.35) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL24309771 0.89 PTK2 (0.35) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL29567013 0.89 PTK2 (0.35) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL29566333 0.88 HTR1A (0.37) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL24309454 0.88 HTR1A (0.37) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL24309455 0.86 BRD4 (0.37) BRD4PTK2MAP4K1MAP4K3SCN9A
SCHEMBL29566398 0.86 MAP4K3 (0.35) BRD4MAP4K1MAP4K3SCN9AALK
SCHEMBL24309437 0.86 MAP4K3 (0.35) BRD4MAP4K1MAP4K3SCN9AALK
SCHEMBL24310081 0.86 BRD4 (0.35) BRD4PTK2SCN9ASLC8A1HTR1A
SCHEMBL29567168 0.86 BRD4 (0.35) BRD4PTK2SCN9ASLC8A1HTR1A

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BRD4 1716/4885PTK2 3114/4885MAP4K1 3678/4885

“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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