SCHEMBL26833740

SCHEMBL26833740

Cc1cccc(S(=O)(=O)Nc2nc(O)cc(-c3c(C)cccc3C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.44
▸ FBP1 P09467 10/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EDNRA P25101 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL26849718 0.87 HTR6 (0.44) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL24298714 0.86 HDAC3 (0.42) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL26845771 0.85 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL26837763 0.84 CASP3 (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL26854979 0.84 CA1 (0.48) KMT2AMEN1FBP1ALDH1A1LMNA
SCHEMBL26869358 0.83 LOX (0.41) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL26854994 0.81 MEN1 (0.54) KMT2AMEN1KDM1AALDH1A1TSHR
SCHEMBL29567131 0.81 PIK3CG (0.38) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL26651235 0.81 PIK3CG (0.38) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL26849603 0.79 MAP4K4 (0.42) KMT2AMEN1ALDH1A1LMNASMN1; 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 KMT2A 4644/4885MEN1 4643/4885KDM1A 4725/4885

“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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