SCHEMBL3324495

SCHEMBL3324495

CC(C)CC1C(=O)OC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.36
KLK5 Q9Y337 5/20 0.36
MMP3 P08254 1/20 0.32
ADAM17 P78536 1/20 0.32
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLA P06280 1/20 0.30
NR1H2 P55055 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
SCHEMBL7132129 1.00 KLK7 (0.36) KLK7KLK5MMP3ADAM17PRSS1
SCHEMBL10623957 0.82 CA1 (0.36) GLA
SCHEMBL2132635 0.78 KLK7 (0.33) KLK7KLK5USP2SMN1; SMN2
SCHEMBL2132631 0.78 KLK7 (0.33) KLK7KLK5USP2SMN1; SMN2
SCHEMBL3321284 0.76 KLK7 (0.36) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL13205498 0.76 KLK7 (0.57) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL27527337 0.76 KLK7 (0.57) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8021097 0.75 CHRM2 (0.42) KLK7KLK5MMP3ADAM17USP2
SCHEMBL7609856 0.75 USP2 (0.35) KLK7USP2SMN1; SMN2NR1H2
SCHEMBL5963617 0.75 KLK7 (0.36) KLK7KLK5MMP3ADAM17USP2

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-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
EP-2056817-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM Bayer HealthCare AG (DE) 2009-05-13 EP disclosed
WO-2008025509-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT KLK7 4474/4885KLK5 3596/4885MMP3 2722/4885

“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.