SCHEMBL25839446

SCHEMBL25839446

CC(C)c1ccc(N2CCN(C(=O)CS(C)(=O)=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HTT P42858 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PANK3 Q9H999 6/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ CASP6 P55212 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ FKBP1A P62942 2/20 0.45
▸ AKR1C3 P42330 1/20 0.45

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
SCHEMBL23544893 0.86 MAPT (0.54) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL23544872 0.84 MAPT (0.56) SMN1; SMN2MAPTHTTLMNAGAA
SCHEMBL14923989 0.82 AKR1C3 (0.64) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL23544870 0.81 KDM4E (0.56) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL25839451 0.80 MAPT (0.53) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL23544874 0.79 MAPT (0.64) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL14923975 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL20884943 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL27089708 0.79 ME2 (0.52) SMN1; SMN2MAPTHTTMAPK1LMNA
SCHEMBL20884954 0.78 AKR1C3 (0.58) SMN1; SMN2MAPTHTTMAPK1LMNA

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 — — 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 SMN1; SMN2 3707/4885MAPT 3409/4885HTT 4020/4885

“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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