SCHEMBL13629869

SCHEMBL13629869

C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(O)OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
APLNR P35414 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSK P43235 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL8247730 0.81 MEN1 (0.35) MEN1MAPK1KMT2ACTSKHDAC4
SCHEMBL4615191 0.79 MEN1 (0.34) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL13330959 0.79 MEN1 (0.34) MEN1MAPK1KMT2AHDAC4HDAC1
SCHEMBL16062006 0.73 MEN1 (0.38) MEN1MAPK1KMT2ACTSK
SCHEMBL15218631 0.73 KMT2A (0.38) SMN1; SMN2MEN1MAPK1KMT2AAPLNR
SCHEMBL13817962 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1MAPK1KMT2AALDH1A1
SCHEMBL1537604 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1MAPK1KMT2AALDH1A1
SCHEMBL329899 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1MAPK1KMT2AALDH1A1
SCHEMBL5036319 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1MAPK1KMT2AALDH1A1
SCHEMBL3725588 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MEN1MAPK1KMT2AALDH1A1

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 2 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-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 SMN1; SMN2 4765/4885MEN1 4820/4885MAPK1 2557/4885

“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.