SCHEMBL1949103

SCHEMBL1949103

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.39
MLYCD O95822 5/20 0.37
GCGR P47871 2/20 0.36
GIPR P48546 2/20 0.36
EPHX1 P07099 1/20 0.34
VNN1 O95497 1/20 0.34
CETP P11597 1/20 0.34
GLP1R P43220 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33

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
SCHEMBL1947508 0.86 KMT2A (0.36) MLYCD
SCHEMBL1438386 0.85 MLYCD (0.44) SERPINE1MLYCD
SCHEMBL1946884 0.85 MLYCD (0.38) MLYCD
SCHEMBL1949171 0.84 SMN1; SMN2 (0.36) MLYCD
SCHEMBL1950136 0.83 MLYCD (0.40) MLYCD
SCHEMBL1950111 0.83 MLYCD (0.35) MLYCD
SCHEMBL6519394 0.79 SERPINE1 (0.44) SERPINE1GCGRGIPREPHX1CETP
SCHEMBL1949099 0.78 SERPINE1 (0.38) SERPINE1MLYCDGCGRGIPREPHX1
SCHEMBL6526993 0.77 SERPINE1 (0.40) SERPINE1MLYCDGCGRGIPREPHX1
SCHEMBL2483257 0.75 SERPINE1 (0.38) SERPINE1MLYCDEPHX1GPR88TOP2A

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 11/4885MLYCD 3443/4885GCGR 4246/4885

“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.