SCHEMBL24310100

SCHEMBL24310100

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PRMT5 O14744 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 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
SCHEMBL26810269 0.92 TP53 (0.38) NAMPTTP53PRMT5AURKAAURKB
SCHEMBL26810263 0.91 LOX (0.42) ALDH1A1HPGDAURKAAURKBCCR2
SCHEMBL26810260 0.90 EGFR (0.37) TP53AURKAAURKBEGFRFGFR1
SCHEMBL26810270 0.90 AURKA (0.37) TP53PRMT5AURKAAURKBEGFR
SCHEMBL26810272 0.88 EGFR (0.38) ALDH1A1HPGDLMNATP53AURKA
SCHEMBL26856788 0.88 HTR1A (0.34) ALDH1A1NAMPTEGFRFGFR1KDR
SCHEMBL26810268 0.87 GPR119 (0.41) AURKAAURKBEGFRFGFR1KDR
SCHEMBL29566838 0.86 GFER (0.39) ALDH1A1LMNAAURKAAURKBEGFR
SCHEMBL24310039 0.86 GFER (0.39) ALDH1A1LMNAAURKAAURKBEGFR
SCHEMBL26810265 0.86 NAMPT (0.35) ALDH1A1NAMPTLMNATP53AURKA

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 USP2 2365/4885ALDH1A1 3992/4885NAMPT 1836/4885

“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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