SCHEMBL2051940

SCHEMBL2051940

CCCCS[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@@H](C(=O)OC)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.38
ELANE P08246 6/20 0.37
NR1I2 O75469 1/20 0.36
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CTSK P43235 4/20 0.35

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
SCHEMBL2051939 1.00 KLK5 (0.38) KLK5ELANENR1I2VHLELOC
SCHEMBL4069693 1.00 KLK5 (0.38) KLK5ELANENR1I2VHLELOC
SCHEMBL2051938 1.00 KLK5 (0.38) KLK5ELANENR1I2VHLELOC
SCHEMBL1433868 0.94 ELANE (0.38) ELANENR1I2VHLELOCELOB
SCHEMBL12646096 0.94 ELANE (0.38) ELANENR1I2VHLELOCELOB
SCHEMBL1433869 0.94 ELANE (0.38) ELANENR1I2VHLELOCELOB
SCHEMBL2051317 0.88 ELANE (0.41) KLK5ELANENR1I2VHLELOC
SCHEMBL1433211 0.88 ELANE (0.41) KLK5ELANENR1I2VHLELOC
SCHEMBL2051315 0.88 ELANE (0.41) KLK5ELANENR1I2VHLELOC
SCHEMBL2052879 0.88 ELANE (0.37) KLK5ELANENR1I2VHLELOC

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-2300490-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-04 EP disclosed
US-7964560-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-21 US disclosed
US-20090304626-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 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-20090304626-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KLK5 3243/4885ELANE 1285/4885NR1I2 454/4885

“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.