SCHEMBL23544887

SCHEMBL23544887

CC(C)c1ccc(N2CCN(C(=O)CC[S+](C)[O-])CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ FKBP1A P62942 1/20 0.48
▸ PANK3 Q9H999 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL23544873 0.80 MAPT (0.48) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL14923989 0.79 AKR1C3 (0.64) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL23544870 0.78 KDM4E (0.56) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL23544893 0.78 MAPT (0.54) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL20884943 0.76 SMN1; SMN2 (0.55) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL23544874 0.76 MAPT (0.64) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL14923975 0.76 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL18591875 0.75 MAPT (0.49) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL20884954 0.75 AKR1C3 (0.58) MAPTSMN1; SMN2LMNAHTTMAPK1
SCHEMBL17306132 0.75 PANK3 (0.56) MAPTSMN1; SMN2LMNAHTTMAPK1

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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 — — 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 (2 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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPT 3409/4885SMN1; SMN2 3707/4885LMNA 4833/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MAPT 3409/4885SMN1; SMN2 3707/4885LMNA 4833/4885

“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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