SCHEMBL16469486

SCHEMBL16469486

CC(C)OC(=O)[C@@H](N)Cc1ccc(-n2c(=O)c3c(ncn3C)n(C)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.48
▸ TNF P01375 4/20 0.42
▸ ACHE P22303 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ ADORA2A P29274 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
SCHEMBL19235545 0.90 ADORA2B (0.50) ADORA2BTNFACHEUSP2LMNA
SCHEMBL19235546 0.90 ADORA2B (0.50) ADORA2BTNFACHEUSP2LMNA
SCHEMBL16529337 0.87 ADORA2B (0.48) ADORA2BTNFACHEUSP2LMNA
SCHEMBL20577842 0.87 ADORA2B (0.48) ADORA2BTNFACHEUSP2LMNA
SCHEMBL16469333 0.77 HSP90AA1 (0.35) SMN1; SMN2POLB
SCHEMBL19255023 0.76 TP53 (0.35) LMNASMN1; SMN2RXFP1POLB
SCHEMBL19255024 0.76 TP53 (0.35) LMNASMN1; SMN2RXFP1POLB
SCHEMBL19235540 0.75 TP53 (0.39) POLB
SCHEMBL19235536 0.75 TP53 (0.39) POLB
SCHEMBL19255025 0.73 TP53 (0.37) POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 — — US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 — — US disclosed
EP-2842945-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2016-10-26 — — EP disclosed
EP-2842945-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., INC. (JP) 2015-03-04 — — EP disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 — — US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 — — US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 — — 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-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 ADORA2B 1629/4885TNF 4640/4885ACHE 2380/4885

“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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