SCHEMBL26807495

SCHEMBL26807495

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(C3=CCC(C(F)(F)F)CC3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ SLC8A1 P32418 1/20 0.35
▸ GPR39 O43194 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ TRPA1 O75762 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ OGG1 O15527 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
SCHEMBL26810995 0.89 TSHR (0.40) TRPV1GPR39TRPA1TSHRSMN1; SMN2
SCHEMBL26807737 0.85 HRH3 (0.38) TRPV1SLC8A1KITTRPA1TRPV3
SCHEMBL26807497 0.84 HTR1A (0.38) HTR1AHTR7SLC8A1GPR39DRD2
SCHEMBL26807500 0.83 KMT2A (0.37) HTR1AHTR7TSHRJAK1
SCHEMBL26807485 0.83 HTR1A (0.40) HTR1AHTR7SLC8A1GPR39DRD2
SCHEMBL24309628 0.83 TDP1 (0.37) HTR1AHTR7SLC8A1GPR39TSHR
SCHEMBL29566535 0.83 TDP1 (0.37) HTR1AHTR7SLC8A1GPR39TSHR
SCHEMBL26811013 0.83 SMN1; SMN2 (0.42) TRPV1GPR39TSHRSMN1; SMN2
SCHEMBL29566709 0.82 HTR1A (0.35) HTR1AHTR7SLC8A1GPR39DRD2
SCHEMBL24309305 0.82 HTR1A (0.35) HTR1AHTR7SLC8A1GPR39DRD2

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 2 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

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 3833/4885TRPV1 321/4885

“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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