SCHEMBL6208624

SCHEMBL6208624

CCC(C)OC(=O)C(Nc1ccc(Oc2ccc3c(cnn3C)c2)nc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
CACNA1H O95180 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNA7 P36544 1/20 0.35
ACACB O00763 1/20 0.34
HTR2A P28223 1/20 0.34
P2RX3 P56373 4/20 0.34
SCN9A Q15858 2/20 0.33

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
SCHEMBL6210556 0.87 NR3C1 (0.47)
SCHEMBL6208913 0.85 SMO (0.44) MAPT
SCHEMBL6208280 0.85 NOTUM (0.46) NOTUMCACNA1HMAOBMAOAACHE
SCHEMBL6211940 0.84 NR3C1 (0.39)
SCHEMBL6205303 0.81 ACACB (0.39) ALDH1A1MAPTACACB
SCHEMBL6209201 0.71 SMO (0.49)
SCHEMBL6208908 0.69 SMO (0.48) MAPTRAB9A
SCHEMBL6209292 0.69 PGR (0.41) P2RX3
SCHEMBL6209850 0.67 KDM4E (0.52) NOTUMTRPM5HAO1ALDH1A1RAB9A
SCHEMBL5783781 0.67 CA12 (0.42) ALDH1A1MAPT

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
EP-1501833-B1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
US-6900201-B2 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-05-31 US disclosed
US-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2004-01-15 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-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, MMP8, MMP2 NOTUM 3479/4885CACNA1H 4293/4885MAOB 345/4885

“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.