SCHEMBL24310082

SCHEMBL24310082

COc1cccc(S(=O)(=O)Nc2nc(Oc3ccccc3F)cc(-c3ccccc3C(C)C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.42
▸ PGR P06401 2/20 0.41
▸ KEAP1 Q14145 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ PGAM1 P18669 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL29566627 1.00 ALPL (0.42) ALPLPGRKEAP1NFE2L2PGAM1
SCHEMBL29566388 0.91 TDP1 (0.42) TSHRSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL24310230 0.91 TDP1 (0.42) TSHRSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL29566852 0.91 TDP1 (0.44) PGRTSHRSMN1; SMN2TDP1FFAR4
SCHEMBL24310180 0.91 TDP1 (0.44) PGRTSHRSMN1; SMN2TDP1FFAR4
SCHEMBL26806777 0.90 TDP1 (0.40) KAT6ATSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL24309354 0.90 TDP1 (0.45) TSHRSMN1; SMN2TDP1SLC40A1ALDH1A1
SCHEMBL29567008 0.90 TDP1 (0.45) TSHRSMN1; SMN2TDP1SLC40A1ALDH1A1
SCHEMBL24310800 0.89 TDP1 (0.42) KAT6ATSHRSMN1; SMN2TDP1SLC40A1
SCHEMBL29567109 0.89 TDP1 (0.42) KAT6ATSHRSMN1; SMN2TDP1SLC40A1

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 ALPL 4846/4885PGR 4116/4885KEAP1 906/4885

“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.

Send feedback