SCHEMBL6481828

SCHEMBL6481828

CC[C@@H]1C[C@@H](C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.37
KLK5 Q9Y337 6/20 0.35
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
CETP P11597 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
STS P08842 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
RORC P51449 1/20 0.32
RIPK1 Q13546 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL4555170 0.79 GPR119 (0.37) KLK7KLK5JAK2JAK1STS
SCHEMBL15519210 0.71 RIPK1 (0.38) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7067385 0.71 GPR119 (0.36) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7515485 0.71 GPR119 (0.36) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL12888044 0.70 KLK7 (0.46) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL6494880 0.70 KLK7 (0.36) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL18597763 0.69 USP30 (0.40) KLK7KLK5STSGPR119KDM4E
SCHEMBL11996752 0.69 USP30 (0.40) KLK7KLK5STSGPR119KDM4E
SCHEMBL18597764 0.69 USP30 (0.40) KLK7KLK5STSGPR119KDM4E
SCHEMBL31486301 0.69 FKBP1A (0.44) KLK7KLK5PRSS1PRSS2PRSS3

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-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 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-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors TFPI, F5, F2 KLK7 203/4885KLK5 108/4885PRSS1 14/4885

“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.