SCHEMBL29567582

SCHEMBL29567582

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(C3CCOC(C)(C)C3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ SLC8A1 P32418 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ EGFR P00533 1/20 0.31

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
SCHEMBL24309633 1.00 HTR1A (0.38) HTR1AHTR7SLC8A1SCN9ATSHR
SCHEMBL26807484 0.85 HTR1A (0.43) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL29566813 0.85 HRH3 (0.37) SLC8A1SCN9AJAK1
SCHEMBL26807654 0.85 HRH3 (0.37) SLC8A1SCN9AJAK1
SCHEMBL29566649 0.84 HTR1A (0.42) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL26807354 0.84 HTR1A (0.42) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL26807486 0.83 HTR1A (0.41) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL29566328 0.83 HTR1A (0.40) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL24309397 0.83 HTR1A (0.40) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL24309634 0.82 CACNA1B (0.33) CACNA1BMAPTRAB9AMAPK14MEN1

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
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

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 HTR1A 4018/4885HTR7 3833/4885SLC8A1 201/4885

“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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