SCHEMBL1948628

SCHEMBL1948628

CC(=O)O[C@H](CC(C)(C)C)[C@@H](OC(C)=O)C(=O)N(CCCl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GCGR P47871 2/20 0.33
GIPR P48546 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLP1R P43220 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL2483257 0.85 SERPINE1 (0.38) SERPINE1HDAC8HDAC3HDAC4HDAC1
SCHEMBL6526993 0.85 SERPINE1 (0.40) SERPINE1HDAC8HDAC3HDAC4HDAC1
SCHEMBL1949103 0.74 SERPINE1 (0.39) SERPINE1GCGRGIPRGLP1RGPR88
SCHEMBL1949099 0.73 SERPINE1 (0.38) SERPINE1GCGRGIPRGLP1RGPR88
SCHEMBL6519394 0.72 SERPINE1 (0.44) SERPINE1GCGRGIPRGPR88EPHX2
SCHEMBL1440585 0.72 MLYCD (0.39) SERPINE1MEN1KMT2ASMN1; SMN2
SCHEMBL1948092 0.71 MLYCD (0.36) SMN1; SMN2
SCHEMBL6525920 0.70 MLYCD (0.34) MEN1KMT2ANR1H4SMN1; SMN2
SCHEMBL1947495 0.70 LMNA (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL1949957 0.70 TSPO (0.35) KMT2ANR1H4TP53SMN1; SMN2

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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SERPINE1 11/4885HDAC8 327/4885HDAC3 736/4885

“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.