SCHEMBL7075412

SCHEMBL7075412

CC(C)(C)CC(Nc1ncnc2[nH]c(=O)[nH]c12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.42
▸ GRN P28799 2/20 0.35
▸ SORT1 Q99523 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AKT2 P31751 2/20 0.33
▸ PRNP P04156 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CXCR2 P25025 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30

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
SCHEMBL26778859 0.73 LMNA (0.37) SMN1; SMN2SLC6A5ALDH1A1HPGDTSHR
SCHEMBL30905809 0.73 LMNA (0.37) SMN1; SMN2SLC6A5ALDH1A1HPGDTSHR
SCHEMBL26779045 0.69 SLC6A5 (0.42) SLC6A5ALDH1A1AKT2TSHRRXFP1
SCHEMBL30905810 0.68 FFAR2 (0.44) SLC6A5ALDH1A1AKT2TSHR
SCHEMBL5360631 0.68 POLB (0.48) SMN1; SMN2ALDH1A1TSHRNPSR1LMNA
SCHEMBL26779024 0.67 SLC6A5 (0.40) SMN1; SMN2SLC6A5ALDH1A1AKT2
SCHEMBL26778638 0.66 ADORA3 (0.55) SMN1; SMN2TSHR
SCHEMBL5372364 0.66 APP (0.50) GRNSORT1ALDH1A1HPGDTSHR
SCHEMBL7416537 0.66 APP (0.50) GRNSORT1ALDH1A1HPGDTSHR
SCHEMBL5361351 0.66 CCNA2 (0.43) SMN1; SMN2ALDH1A1HPGDMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 — — US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 — — 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 (3 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB SMN1; SMN2 4666/4885SLC6A5 4155/4885GRN 2590/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB SMN1; SMN2 4666/4885SLC6A5 4155/4885GRN 2590/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB SMN1; SMN2 4666/4885SLC6A5 4155/4885GRN 2590/4885

“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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