SCHEMBL26856740

SCHEMBL26856740

COCCNc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ HTR1A P08908 2/20 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
SCHEMBL26856953 0.92 SMN1; SMN2 (0.36) TSHRSMN1; SMN2CDK2BRD4PDGFRB
SCHEMBL26810006 0.91 BRD4 (0.34) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL26856599 0.91 TSHR (0.34) TSHRSMN1; SMN2CDK2F2BRD4
SCHEMBL26814554 0.90 ALDH1A1 (0.39) TSHRSMN1; SMN2LOXL2KDM4EALDH1A1
SCHEMBL26856788 0.89 HTR1A (0.34) TSHRSMN1; SMN2KDM4EALDH1A1CDK2
SCHEMBL26856649 0.89 IRAK1 (0.34) TSHRSMN1; SMN2CDK2BRD4PDGFRB
SCHEMBL26856825 0.89 MKNK1 (0.38) TSHRSMN1; SMN2CDK2BRD4SRC
SCHEMBL26857077 0.89 PTGDR2 (0.35) TSHRSMN1; SMN2BRD4KDREGFR
SCHEMBL26857058 0.88 TSHR (0.36) TSHRSMN1; SMN2BRD4PDGFRBSRC
SCHEMBL26810263 0.88 LOX (0.42) LOXL2KDM4EALDH1A1MAPTHPGD

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 1 patent. 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

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 TSHR 1755/4885SMN1; SMN2 4847/4885LOXL2 2934/4885

“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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