SCHEMBL24310091

SCHEMBL24310091

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2cccc(O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BRD4 O60885 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR1A P08908 5/20 0.35
▸ HTR7 P34969 5/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL29567206 1.00 TDP1 (0.41) TDP1LMNAHTTBRD4TSHR
SCHEMBL29566577 0.91 TDP1 (0.47) TDP1LMNAHTTBRD4TSHR
SCHEMBL26812772 0.91 TDP1 (0.47) TDP1LMNAHTTBRD4TSHR
SCHEMBL29567008 0.91 TDP1 (0.45) TDP1LMNAHTTBRD4TSHR
SCHEMBL24309354 0.91 TDP1 (0.45) TDP1LMNAHTTBRD4TSHR
SCHEMBL29567109 0.90 TDP1 (0.42) TDP1LMNAHTTBRD4TSHR
SCHEMBL24310800 0.90 TDP1 (0.42) TDP1LMNAHTTBRD4TSHR
SCHEMBL26812774 0.89 KDM1A (0.45) TDP1LMNAHTTHTR1AHTR7
SCHEMBL29566464 0.89 KDM1A (0.45) TDP1LMNAHTTHTR1AHTR7
SCHEMBL26806777 0.89 TDP1 (0.40) TDP1LMNAHTTBRD4TSHR

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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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