SCHEMBL25839463

SCHEMBL25839463

CC(C)c1ccc(N2CCN(S(=O)(=O)C3COC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 5/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PANK3 Q9H999 3/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL23544878 0.84 NOTUM (0.46) ALDH1A1MAPTRECQLNPSR1PANK3
SCHEMBL17147398 0.79 MAPT (0.63) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11977001 0.79 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL14923965 0.77 KDM4E (0.56) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL17306124 0.76 RORC (0.46) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL20251137 0.76 MAPT (0.51) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL17660591 0.75 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL14923988 0.75 KMT2A (0.72) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL20883571 0.75 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL17660612 0.73 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1SMN1; 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
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 ALDH1A1 2446/4885LMNA 4833/4885MAPT 3409/4885

“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.