SCHEMBL24310102

SCHEMBL24310102

CCN(CC)C(=O)c1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ EIF2AK3 Q9NZJ5 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29567111 1.00 BRD4 (0.39) BRD4PTGDR2NR1H2NR1H3ABL1
SCHEMBL26810173 0.94 BRD4 (0.38) BRD4PTGDR2NR1H2NR1H3ABL1
SCHEMBL24310203 0.91 MEN1 (0.38) BRD4PTGDR2NR1H2NR1H3NPC1
SCHEMBL24310099 0.90 BRD4 (0.38) BRD4EGFRFGFR1KDRSMN1; SMN2
SCHEMBL29566567 0.90 BRD4 (0.38) BRD4EGFRFGFR1KDRSMN1; SMN2
SCHEMBL26810181 0.88 BRD4 (0.39) BRD4PTGDR2EGFRFGFR1KDR
SCHEMBL24310553 0.88 FGFR1 (0.38) BRD4EGFRFGFR1KDRHTT
SCHEMBL29566952 0.88 FGFR1 (0.38) BRD4EGFRFGFR1KDRHTT
SCHEMBL26810160 0.88 BRD4 (0.38) BRD4EGFRFGFR1KDRSYK
SCHEMBL26810183 0.87 CCR2 (0.37) BRD4PTGDR2NR1H2NR1H3EGFR

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 BRD4 1716/4885PTGDR2 1067/4885NR1H2 700/4885

“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