SCHEMBL26806901

SCHEMBL26806901

O=S(=O)(Nc1nc(NC2CCCCC2)cc(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.59
MAPT P10636 1/20 0.54
KDM4E B2RXH2 2/20 0.51
GPR39 O43194 2/20 0.48
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
PTGS2 P35354 4/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
PTGS1 P23219 3/20 0.45
TSHR P16473 1/20 0.45
ADORA1 P30542 4/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 3/20 0.43

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
SCHEMBL26806894 0.81 MAPT (0.49) VCPMAPTKDM4ELMNASMN1; SMN2
SCHEMBL26820012 0.81 MAPT (0.49) VCPMAPTKDM4EGPR39LMNA
SCHEMBL26806932 0.78 MAPT (0.53) VCPMAPTKDM4EPTGS2SMN1; SMN2
SCHEMBL26806986 0.78 MAPT (0.61) VCPMAPTKDM4ELMNAHTT
SCHEMBL13309931 0.77 ADORA1 (0.63) VCPKDM4EGPR39CDC7DBF4
SCHEMBL26806935 0.77 MAPT (0.54) VCPMAPTKDM4EPTGS2SMN1; SMN2
SCHEMBL3450685 0.75 VCP (0.56) VCPMAPTKDM4EGPR39CDC7
SCHEMBL15757620 0.75 AURKA (0.59) VCPKDM4ECDC7DBF4LMNA
SCHEMBL3450507 0.75 CDC7 (0.53) VCPMAPTKDM4EGPR39CDC7
SCHEMBL26806890 0.74 MAPT (0.54) MAPTKDM4ELMNASMN1; SMN2HTT

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 VCP 602/4885MAPT 4864/4885KDM4E 4141/4885

“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.