SCHEMBL26863010

SCHEMBL26863010

CCC(C)(N(C)C)N(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(O)cc(-c3c(C)cccc3C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 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
SCHEMBL26869358 0.87 LOX (0.41) ALDH1A1L3MBTL1MEN1KMT2ACASP3
SCHEMBL26841429 0.84 F2 (0.35) ALDH1A1L3MBTL1MEN1KMT2ACA1
SCHEMBL24298714 0.82 HDAC3 (0.42) ALDH1A1L3MBTL1MEN1KMT2ACASP3
SCHEMBL26837763 0.80 CASP3 (0.42) ALDH1A1MEN1KMT2ARAB9ACASP3
SCHEMBL26846645 0.80 WDR5 (0.35) ALDH1A1L3MBTL1KMT2ACA1CA2
SCHEMBL26841506 0.79 HSD11B1 (0.39) ALDH1A1L3MBTL1HTTSMN1; SMN2GAA
SCHEMBL26872601 0.79 WDR5 (0.35) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL26869586 0.78 L3MBTL1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL26831776 0.78 EGFR (0.38) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL26876181 0.78 ALDH1A1 (0.33) ALDH1A1L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 — — US 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-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 4032/4885L3MBTL1 4201/4885MEN1 4643/4885

“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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