SCHEMBL26806787

SCHEMBL26806787

CC(C)c1ccccc1-c1cc(OCC(F)(F)F)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ SCN9A Q15858 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MGAT2 Q10469 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL26806784 0.90 POLB (0.41) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL24309523 0.89 POLB (0.36) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL29566755 0.89 POLB (0.36) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806783 0.86 POLB (0.41) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806794 0.86 POLB (0.38) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806791 0.85 POLB (0.36) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806726 0.85 POLB (0.43) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL29566848 0.85 POLB (0.37) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806781 0.85 POLB (0.37) POLBMAPTPIK3C2BPIK3C2GSMN1; SMN2
SCHEMBL26806724 0.84 KMT2A (0.39) POLBSCN9AMAPTPIK3C2BPIK3C2G

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 PTGS1 1471/4885PTGS2 1821/4885POLB 3593/4885

“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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