SCHEMBL24310689

SCHEMBL24310689

CC(C)c1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)cc2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.39
▸ HTR6 P50406 3/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR2C P28335 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL24309887 0.92 RAD52 (0.39) HTR7HTR6HTR1ADRD2HTR2C
SCHEMBL29567333 0.92 RAD52 (0.39) HTR7HTR6HTR1ADRD2HTR2C
SCHEMBL26808691 0.90 HTR1A (0.42) HTR7HTR6HTR1ADRD2ALDH1A1
SCHEMBL29567388 0.89 DRD2 (0.37) HTR7HTR6HTR1ADRD2HTR2C
SCHEMBL24310421 0.89 DRD2 (0.37) HTR7HTR6HTR1ADRD2HTR2C
SCHEMBL24309717 0.86 RAD52 (0.39) HTR7HTR6HTR1AHTR2CALDH1A1
SCHEMBL29567239 0.86 RAD52 (0.39) HTR7HTR6HTR1AHTR2CALDH1A1
SCHEMBL26808689 0.85 HTR1A (0.48) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL29566830 0.84 HTR6 (0.37) HTR7HTR6HTR1ADRD2GAA
SCHEMBL26811346 0.84 HTR6 (0.37) HTR7HTR6HTR1ADRD2GAA

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 5 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
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
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 HTR7 3833/4885HTR6 2653/4885HTR1A 4018/4885

“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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