SCHEMBL3321284

SCHEMBL3321284

CC[C@H](C)C1C(=O)OC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.36
KLK5 Q9Y337 5/20 0.35
NR1H3 Q13133 2/20 0.33
NR1H2 P55055 1/20 0.33
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL2132631 0.85 KLK7 (0.33) KLK7KLK5PLA2G10PLA2G5KDM4E
SCHEMBL2132635 0.85 KLK7 (0.33) KLK7KLK5PLA2G10PLA2G5KDM4E
SCHEMBL7132129 0.76 KLK7 (0.36) KLK7KLK5NR1H2PRSS1PRSS2
SCHEMBL3324495 0.76 KLK7 (0.36) KLK7KLK5NR1H2PRSS1PRSS2
SCHEMBL12570509 0.74 KLK7 (0.32) KLK7KLK5
SCHEMBL7609856 0.74 USP2 (0.35) KLK7NR1H2KDM4EMAPTTHRB
SCHEMBL8886176 0.69 GLA (0.39) KLK7KLK5NR1H3NR1H2PRSS1
SCHEMBL5891823 0.69 GLA (0.39) KLK7KLK5NR1H3NR1H2PRSS1
SCHEMBL8886431 0.68 NR1H3 (0.36) KLK7KLK5NR1H3NR1H2PRSS1
SCHEMBL8073190 0.68 NR1H3 (0.36) KLK7KLK5NR1H3NR1H2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT KLK7 4474/4885KLK5 3596/4885NR1H3 3652/4885

“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.