SCHEMBL5732302

SCHEMBL5732302

CC(C)(C)OC(=O)NC(Cc1ccc(-c2ncnc3c2ncn3C2CCCCO2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
ITGA4 P13612 4/20 0.42
ITGB7 P26010 2/20 0.42
PTPN1 P18031 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MAPK1 P28482 2/20 0.39
ACE P12821 1/20 0.39
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5732295 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732305 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732299 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732345 0.86 CYP2C19 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732348 0.86 CYP2C19 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732339 0.86 CYP2C19 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5732334 0.86 CYP2C19 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL5731479 0.78 FGFR1 (0.53) ITGA4ITGB7PTPN1ITGB3ITGA2B
SCHEMBL5731477 0.78 FGFR1 (0.53) ITGA4ITGB7PTPN1ITGB3ITGA2B
SCHEMBL5731483 0.78 FGFR1 (0.53) ITGA4ITGB7PTPN1ITGB3ITGA2B

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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-06-15 US disclosed
EP-1615926-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2006-01-18 EP disclosed
WO-2004094426-A1 (PURIN-6-YL) AMINO ACID AND PRODUCTION METHOD THEREOF USTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKÉ REPUBLIKY (CZ) 2004-11-04 WO 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-20060128956-A1 (Purin-6-yl) amino acid and production method thereof PRPF3, PURB, PRPF31 NPC1 4195/4885RAB9A 3789/4885SMN1; SMN2 2059/4885

“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.