SCHEMBL24310099

SCHEMBL24310099

Cc1cc(C(=O)O)ccc1Oc1cc(-c2c(C)cccc2C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ EGFR P00533 3/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33

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
SCHEMBL29566567 1.00 BRD4 (0.38) BRD4WDR5EGFRFGFR1KDR
SCHEMBL29566993 0.93 EGFR (0.37) BRD4WDR5EGFRFGFR1KDR
SCHEMBL24309564 0.93 EGFR (0.37) BRD4WDR5EGFRFGFR1KDR
SCHEMBL29566952 0.92 FGFR1 (0.38) BRD4EGFRFGFR1KDRTSHR
SCHEMBL24310553 0.92 FGFR1 (0.38) BRD4EGFRFGFR1KDRTSHR
SCHEMBL26810181 0.90 BRD4 (0.39) BRD4EGFRFGFR1KDR
SCHEMBL24310039 0.90 GFER (0.39) WDR5EGFRFGFR1KDRTSHR
SCHEMBL29566838 0.90 GFER (0.39) WDR5EGFRFGFR1KDRTSHR
SCHEMBL24310102 0.90 BRD4 (0.39) BRD4EGFRFGFR1KDRSMN1; SMN2
SCHEMBL29567111 0.90 BRD4 (0.39) BRD4EGFRFGFR1KDRSMN1; SMN2

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 1716/4885WDR5 3960/4885EGFR 818/4885

“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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