SCHEMBL24309786

SCHEMBL24309786

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C)CC3)c(Cl)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.40
▸ HTR6 P50406 3/20 0.36
▸ BRD4 O60885 6/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL26809817 0.96 HTR1D (0.37) DGAT2HTR6BRD4ALDH1A1MAP4K1
SCHEMBL29566991 0.96 HTR1D (0.37) DGAT2HTR6BRD4ALDH1A1MAP4K1
SCHEMBL29567043 0.92 HTR6 (0.37) HTR6
SCHEMBL26837336 0.92 HTR6 (0.37) HTR6
SCHEMBL26808238 0.91 DGAT2 (0.36) DGAT2HTR6BRD4ALDH1A1MAP4K1
SCHEMBL24309701 0.90 HTR6 (0.36) DGAT2HTR6BRD4ALDH1A1JAK2
SCHEMBL24310534 0.90 DGAT2 (0.35) DGAT2HTR6BRD4ALDH1A1MAP4K1
SCHEMBL29567245 0.89 BRD4 (0.42) BRD4SLC2A1
SCHEMBL26808191 0.89 BRD4 (0.42) BRD4SLC2A1
SCHEMBL24309946 0.89 MAP4K1 (0.38) DGAT2HTR6BRD4JAK2JAK3

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-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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 DGAT2 688/4885HTR6 2653/4885BRD4 1716/4885

“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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