SCHEMBL26820165

SCHEMBL26820165

CC(C)(C)C1CCc2nc(NS(=O)(=O)c3ccccc3)ncc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HTR6 P50406 3/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 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
SCHEMBL24287495 0.77 MAPT (0.40) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL26813510 0.74 MAPT (0.60) NPSR1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL3988019 0.72 MAPT (0.34) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL26813505 0.67 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL26813500 0.66 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2GAATP53
SCHEMBL1532277 0.66 CCNT1 (0.67) NPSR1TSHRALDH1A1CCNT1CDK1
SCHEMBL21753108 0.65 TSHR (0.60) NPSR1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL4548608 0.64 MAPT (0.42) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8391096 0.63 CDK5 (0.47) TSHRCDK5CDK5R1CCNT1CDK1
SCHEMBL5021335 0.63 DRD2 (0.51) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NPSR1 3815/4885TSHR 2058/4885ALDH1A1 3575/4885

“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.