SCHEMBL26807601

SCHEMBL26807601

CC1CCCC(C)C1(O)c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.40
▸ HTR7 P34969 6/20 0.40
▸ SLC8A1 P32418 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ AXL P30530 3/20 0.34
▸ MERTK Q12866 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32

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
SCHEMBL26807593 0.88 HRH3 (0.37) SLC8A1TSHRSMN1; SMN2MMP2MMP13
SCHEMBL29566698 0.87 HTR1A (0.47) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL24309839 0.87 HTR1A (0.47) HTR1AHTR7DRD2HTR6NLRP3
SCHEMBL26807599 0.86 FLT3 (0.34) FGFR1HTR6JAK1
SCHEMBL26807590 0.85 HRH3 (0.42) HTR1AHTR7SLC8A1JAK1
SCHEMBL24310472 0.82 HTR1A (0.38) HTR1AHTR7SLC8A1TSHRSMN1; SMN2
SCHEMBL24309657 0.82 NLRP3 (0.35) HTR1AHTR7SMN1; SMN2DRD2HTR6
SCHEMBL29566524 0.82 NLRP3 (0.35) HTR1AHTR7SMN1; SMN2DRD2HTR6
SCHEMBL24309636 0.81 NLRP3 (0.34) HTR1AHTR7SLC8A1EGFRFGFR1
SCHEMBL29567053 0.81 NLRP3 (0.34) HTR1AHTR7SLC8A1EGFRFGFR1

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 3833/4885SLC8A1 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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