SCHEMBL26812772

SCHEMBL26812772

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2ccc(O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL29566577 1.00 TDP1 (0.47) TDP1LMNAHTTMAPK1GAA
SCHEMBL29567008 0.92 TDP1 (0.45) TDP1LMNAHTTMAPK1GAA
SCHEMBL24309354 0.92 TDP1 (0.45) TDP1LMNAHTTMAPK1GAA
SCHEMBL26812870 0.92 TDP1 (0.47) TDP1LMNAHTTMAPK1GAA
SCHEMBL29567206 0.91 TDP1 (0.41) TDP1LMNAHTTMAPK1BRD4
SCHEMBL24310091 0.91 TDP1 (0.41) TDP1LMNAHTTMAPK1BRD4
SCHEMBL26812864 0.91 TDP1 (0.44) TDP1LMNAHTTGAATSHR
SCHEMBL26812759 0.91 MAPT (0.47) TDP1LMNAHTTMAPK1GAA
SCHEMBL29567103 0.91 MAPT (0.47) TDP1LMNAHTTMAPK1GAA
SCHEMBL29566852 0.90 TDP1 (0.44) TDP1LMNAHTTGAAPLA2G7

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 TDP1 4534/4885LMNA 4052/4885HTT 4048/4885

“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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