SCHEMBL26869358

SCHEMBL26869358

Cc1cccc(C)c1-c1cc(O)nc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL24298714 0.88 HDAC3 (0.42) ALDH1A1L3MBTL1TSHRCASP3SENP8
SCHEMBL24324698 0.88 SMN1; SMN2 (0.49) LOXNAMPTALDH1A1L3MBTL1TSHR
SCHEMBL26863010 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRCASP3SENP8
SCHEMBL26869586 0.86 L3MBTL1 (0.35) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL26837763 0.86 CASP3 (0.42) LOXALDH1A1CASP3SENP8SENP7
SCHEMBL26841506 0.85 HSD11B1 (0.39) ALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL26876181 0.84 ALDH1A1 (0.33) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL26831776 0.84 EGFR (0.38) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL26833740 0.83 KMT2A (0.47) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL26841429 0.83 F2 (0.35) ALDH1A1L3MBTL1MEN1KMT2AHTT

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 LOX 2676/4885NAMPT 1965/4885ALDH1A1 4032/4885

“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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