SCHEMBL24309665

SCHEMBL24309665

Cc1c(Cl)cccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ RIPK2 O43353 2/20 0.36
▸ ACVR1 Q04771 2/20 0.36
▸ NOD2 Q9HC29 2/20 0.36
▸ MT-CO2 P00403 1/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL29566865 1.00 GUSB (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807468 0.93 GUSB (0.42) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807466 0.92 FLT3 (0.38) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807316 0.89 RIPK2 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL29566726 0.89 RIPK2 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL24310583 0.87 RIPK2 (0.38) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807757 0.86 GUSB (0.40) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26808355 0.85 HTR6 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL29567157 0.85 LTA4H (0.41) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL24309513 0.85 LTA4H (0.41) GUSBFLT3RIPK2ACVR1NOD2

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 GUSB 2723/4885FLT3 4133/4885RIPK2 3698/4885

“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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