SCHEMBL24309354

SCHEMBL24309354

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ BRD4 O60885 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL29567008 1.00 TDP1 (0.45) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL26812870 0.93 TDP1 (0.47) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL29567103 0.92 MAPT (0.47) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL26812864 0.92 TDP1 (0.44) TDP1TSHRHTTLMNAMAPT
SCHEMBL29566577 0.92 TDP1 (0.47) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL26812772 0.92 TDP1 (0.47) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL26812759 0.92 MAPT (0.47) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL29566852 0.92 TDP1 (0.44) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL24310180 0.92 TDP1 (0.44) TDP1TSHRSMN1; SMN2HTTLMNA
SCHEMBL24310800 0.92 TDP1 (0.42) TDP1TSHRSMN1; SMN2HTTLMNA

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 3 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
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 4534/4885TSHR 1755/4885SMN1; SMN2 4847/4885

“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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