SCHEMBL1983553

SCHEMBL1983553

C=CCCOC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
PSMB5 P28074 1/20 0.32
CA2 P00918 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CNR2 P34972 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
CASP1 P29466 2/20 0.30
BACE1 P56817 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL731309 1.00 PDF (0.34) PDFPLA2G2CPSMB5CA2ITGB3
SCHEMBL731552 0.91 ALDH1A1 (0.35) PDFPLA2G2CHRH3BACE1ALDH1A1
SCHEMBL1988212 0.91 ALDH1A1 (0.35) PDFPLA2G2CHRH3BACE1ALDH1A1
SCHEMBL1984791 0.90 LMNA (0.37) PLA2G2CHRH3ALDH1A1
SCHEMBL731304 0.90 LMNA (0.37) PLA2G2CHRH3ALDH1A1
SCHEMBL2043708 0.88 ALDH1A1 (0.40) PLA2G2CALDH1A1
SCHEMBL2042688 0.88 ALDH1A1 (0.40) PLA2G2CALDH1A1
SCHEMBL731050 0.88 ALDH1A1 (0.40) PLA2G2CALDH1A1
SCHEMBL733660 0.88 ALDH1A1 (0.40) PLA2G2CALDH1A1
SCHEMBL731986 0.87 CASP1 (0.39) CASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563505-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2337784-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
EP-2337784-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-29 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100080771-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (2 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-20100080771-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL PDF 2993/4885PLA2G2C 1018/4885PSMB5 1926/4885
US-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL PDF 2993/4885PLA2G2C 1018/4885PSMB5 1926/4885

“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.