SCHEMBL26807480

SCHEMBL26807480

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccc(N4CCNCC4)cc3)cc(-c3ccc(Cl)cc3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.43
▸ MAPKAPK2 P49137 3/20 0.41
▸ RIPK2 O43353 2/20 0.38
▸ ACVR1 Q04771 2/20 0.38
▸ NOD2 Q9HC29 2/20 0.38
▸ NMT1 P30419 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ GUSB P08236 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL26807760 0.93 LTA4H (0.48) LTA4HRIPK2ACVR1NOD2NMT1
SCHEMBL26807460 0.92 HTR6 (0.43) LTA4HRIPK2ACVR1NOD2SCN9A
SCHEMBL24309513 0.89 LTA4H (0.41) LTA4HRIPK2ACVR1NOD2NMT1
SCHEMBL29567157 0.89 LTA4H (0.41) LTA4HRIPK2ACVR1NOD2NMT1
SCHEMBL26807468 0.87 GUSB (0.42) LTA4HMAPKAPK2RIPK2ACVR1NOD2
SCHEMBL26807769 0.86 GUSB (0.43) LTA4HGUSBHTR6HTR3EHTR3B
SCHEMBL26807778 0.85 HTR3E (0.46) RIPK2ACVR1NOD2GUSBHTR6
SCHEMBL26807780 0.85 LTA4H (0.47) LTA4HRIPK2ACVR1NOD2GUSB
SCHEMBL24310583 0.85 RIPK2 (0.38) LTA4HRIPK2ACVR1NOD2GUSB
SCHEMBL24309512 0.85 FLT3 (0.36) LTA4HRIPK2ACVR1NOD2GUSB

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 LTA4H 156/4885MAPKAPK2 3423/4885RIPK2 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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