SCHEMBL29566369

SCHEMBL29566369

Cn1cc(S(=O)(=O)Nc2nc(Oc3cccc(Cl)c3)cc(C3CC3(C)C)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ PGR P06401 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GPR119 Q8TDV5 8/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ FSCN1 Q16658 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 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
SCHEMBL24310460 1.00 HTR1A (0.36) HTR1AHTR7PGRPTGS1PTGS2
SCHEMBL26807620 0.90 HTR1A (0.35) HTR1AHTR7PGRPTGS1PTGS2
SCHEMBL24310580 0.87 GPR119 (0.40) HTR1AHTR7PGRPTGS1PTGS2
SCHEMBL26807627 0.86 GPR119 (0.39) HTR1AHTR7PGRPTGS1PTGS2
SCHEMBL26810534 0.86 F10 (0.40) HTR1AHTR7EGFRFGFR1KDR
SCHEMBL26810543 0.82 HTR1A (0.39) HTR1AHTR7PTGS2SLC22A12
SCHEMBL26810509 0.82 SLC6A9 (0.36) HTR1AHTR7PGRPTGS1PTGS2
SCHEMBL26810538 0.81 EGFR (0.36) EGFRFGFR1KDR
SCHEMBL24310459 0.81 NLRP3 (0.36) HTR1AHTR7EGFRFGFR1KDR
SCHEMBL26810541 0.81 HRH3 (0.39) HTR1AHTR7EGFRFGFR1KDR

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 3833/4885PGR 4116/4885

“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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