SCHEMBL6093529

SCHEMBL6093529

CC(C)(C)OC(=O)N[C@@H](Cc1ccncn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACE P12821 1/20 0.49
PPARA Q07869 8/20 0.45
PPARG P37231 7/20 0.45
PTPN1 P18031 3/20 0.45
PPARD Q03181 2/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
APP P05067 1/20 0.42
IDO1 P14902 1/20 0.42
NLRP3 Q96P20 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
SCHEMBL268002 0.84 ACE (0.56) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL215178 0.84 ACE (0.56) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL29573143 0.84 ACE (0.56) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL215179 0.84 ACE (0.56) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL29613833 0.84 ACE (0.56) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL3338649 0.82 ACE (0.62) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL16658 0.82 ACE (0.62) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL478774 0.82 ACE (0.62) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL21879135 0.81 ITGB3 (0.47) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL20502152 0.81 ITGB3 (0.47) ITGB3ITGA2BACEPPARAPPARG

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-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 ITGB3 2939/4885ITGA2B 2911/4885ACE 2096/4885

“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.