SCHEMBL26807751

SCHEMBL26807751

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccc(N4CCNCC4)cc3)cc(Oc3ccccc3Cl)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 4/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ PLA2G7 Q13093 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ LTA4H P09960 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ NMT1 P30419 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL26807773 0.91 RIPK2 (0.43) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL26807780 0.91 LTA4H (0.47) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL26807760 0.90 LTA4H (0.48) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL24309513 0.89 LTA4H (0.41) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL29567157 0.89 LTA4H (0.41) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL26807468 0.89 GUSB (0.42) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL26807757 0.88 GUSB (0.40) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL26807769 0.88 GUSB (0.43) GUSBHTR6HTR2CLTA4HHTR1A
SCHEMBL29566968 0.87 HTR6 (0.41) GUSBHTR6RIPK2ACVR1NOD2
SCHEMBL24309746 0.87 HTR6 (0.41) GUSBHTR6RIPK2ACVR1NOD2

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 GUSB 2723/4885KMT2A 4613/4885HTR6 2653/4885

“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.

Send feedback