SCHEMBL24310786

SCHEMBL24310786

COCCNC(=O)c1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 5/20 0.39
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA3 P07451 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA6 P23280 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA13 Q8N1Q1 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA5B Q9Y2D0 2/20 0.36
▸ GPR27 Q9NS67 2/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ CCR2 P41597 6/20 0.35
▸ PCTP Q9UKL6 1/20 0.34
▸ STARD10 Q9Y365 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL29566957 1.00 SLC6A9 (0.39) SLC6A9CA12CA1CA2CA3
SCHEMBL26810190 0.93 SLC6A9 (0.40) SLC6A9GPR27AVPR2CCR2PCTP
SCHEMBL26810187 0.90 SLC6A9 (0.38) SLC6A9GPR27AVPR2PCTPSTARD10
SCHEMBL26810263 0.89 LOX (0.42) CCR2KDM4EALDH1A1MAPTHTT
SCHEMBL29566982 0.89 ACLY (0.38) SLC6A9GPR27AVPR2PCTPSTARD10
SCHEMBL24310549 0.89 ACLY (0.38) SLC6A9GPR27AVPR2PCTPSTARD10
SCHEMBL26810139 0.88 CCR2 (0.37) CCR2KDM4EALDH1A1NPSR1LOX
SCHEMBL24310788 0.86 P2RX7 (0.34) CA12CA1CA2CA3CA4
SCHEMBL26810155 0.86 KDM4E (0.36) CA2CA4CCR2KDM4EALDH1A1
SCHEMBL26810192 0.85 GPR119 (0.40) SLC6A9GPR27AVPR2PCTPSTARD10

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 SLC6A9 822/4885CA12 4521/4885CA1 4872/4885

“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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