SCHEMBL26808555

SCHEMBL26808555

CN1CCC(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(-c4ccccc4C4CCC4)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ PTK2 Q05397 7/20 0.33
▸ JAK2 O60674 6/20 0.33
▸ JAK3 P52333 5/20 0.33
▸ SLC8A1 P32418 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ MAP4K1 Q92918 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
SCHEMBL26808566 0.97 SCN9A (0.36) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL24309772 0.91 HTR1A (0.35) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL26808596 0.91 HTR1A (0.36) SCN9AHTR1AHTR7PTK2SLC8A1
SCHEMBL26808605 0.90 HTR1A (0.34) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL26808599 0.89 BRD4 (0.35) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL26808560 0.89 PTK2 (0.34) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL29566359 0.89 HTR1A (0.39) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL24310415 0.89 HTR1A (0.39) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL26808551 0.88 SCN9A (0.34) SCN9AHTR1AHTR7PTK2JAK2
SCHEMBL26808557 0.88 KDR (0.34) SCN9AHTR1AHTR7PTK2JAK2

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-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

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 SCN9A 385/4885HTR1A 4018/4885HTR7 3833/4885

“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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