SCHEMBL23544893

SCHEMBL23544893

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ FKBP1A P62942 1/20 0.49
▸ PANK3 Q9H999 2/20 0.48

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
SCHEMBL25839446 0.86 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL14923989 0.80 AKR1C3 (0.64) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL25839454 0.80 FKBP1A (0.53) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL23544870 0.79 KDM4E (0.56) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL23544887 0.78 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL25840504 0.78 ADRA1B (0.45) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL25839451 0.78 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL23544874 0.77 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL14923975 0.77 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL20884943 0.77 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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 3707/4885ALDH1A1 2446/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MAPT 3409/4885SMN1; SMN2 3707/4885ALDH1A1 2446/4885

“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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