SCHEMBL24310039

SCHEMBL24310039

Cc1cccc(C)c1-c1cc(Oc2ccc(C(=O)O)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CHEK1 O14757 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ PPARG P37231 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
SCHEMBL29566838 1.00 GFER (0.39) GFEREGFRFGFR1KDRAURKA
SCHEMBL26810272 0.91 EGFR (0.38) EGFRFGFR1KDRAURKAAURKB
SCHEMBL29566612 0.91 TSHR (0.43) EGFRFGFR1KDRTSHRSMN1; SMN2
SCHEMBL24310345 0.91 TSHR (0.43) EGFRFGFR1KDRTSHRSMN1; SMN2
SCHEMBL29567535 0.90 EGFR (0.38) EGFRFGFR1KDRAURKAAURKB
SCHEMBL24310791 0.90 EGFR (0.38) EGFRFGFR1KDRAURKAAURKB
SCHEMBL26810270 0.90 AURKA (0.37) EGFRFGFR1KDRAURKAAURKB
SCHEMBL24309560 0.90 F2 (0.38) EGFRFGFR1KDRTSHRSMN1; SMN2
SCHEMBL29566776 0.90 F2 (0.38) EGFRFGFR1KDRTSHRSMN1; SMN2
SCHEMBL24310099 0.90 BRD4 (0.38) EGFRFGFR1KDRTSHRSMN1; 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 GFER 1079/4885EGFR 818/4885FGFR1 2391/4885

“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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