SCHEMBL2049299

SCHEMBL2049299

C=CCOC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.34

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
SCHEMBL731986 1.00 CASP1 (0.39) CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1983553 0.87 PDF (0.34) CASP1ALDH1A1
SCHEMBL731309 0.87 PDF (0.34) CASP1ALDH1A1
SCHEMBL14943742 0.87 SMN1; SMN2 (0.38) CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12401070 0.85 SMN1; SMN2 (0.37) CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15338738 0.85 SMN1; SMN2 (0.37) CASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15896316 0.85 SMN1; SMN2 (0.32) CASP1SMN1; SMN2
SCHEMBL731552 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPT
SCHEMBL1988212 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPT
SCHEMBL12466907 0.84 SMN1; SMN2 (0.39) CASP1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101754974-B As the macrocylc compound of antiviral agent MSD ITALIA S.R.L. (IT) 2016-02-03 CN disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP 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 (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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CASP1 3218/4885SMN1; SMN2 4675/4885ALDH1A1 623/4885

“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.