SCHEMBL26810235

SCHEMBL26810235

Cc1cccc(C)c1-c1cc(Oc2ccc(S(=O)(=O)CCN(C)C)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ SRC P12931 3/20 0.34
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CACNA1H O95180 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
▸ SYK P43405 4/20 0.33
▸ HTR7 P34969 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ HTR1A P08908 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
SCHEMBL29566654 0.89 NMT1 (0.37) CACNA1BSRCTSHRSMN1; SMN2CACNA1H
SCHEMBL24310059 0.89 NMT1 (0.37) CACNA1BSRCTSHRSMN1; SMN2CACNA1H
SCHEMBL26810238 0.88 SMN1; SMN2 (0.38) CDK2TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26856825 0.88 MKNK1 (0.38) CACNA1BCDK2SRCTSHRSMN1; SMN2
SCHEMBL26856978 0.86 CACNA1B (0.37) CACNA1BSRCCACNA1HPIK3CDPIK3CB
SCHEMBL29566612 0.86 TSHR (0.43) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL24310345 0.86 TSHR (0.43) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL29566748 0.85 GAA (0.40) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL24310086 0.85 GAA (0.40) TSHRSMN1; SMN2PIK3CDPIK3CBMTOR
SCHEMBL26810218 0.85 KMT2A (0.40) TSHRSMN1; SMN2

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 CACNA1B 1648/4885CDK2 4552/4885SRC 3303/4885

“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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