SCHEMBL1948092

SCHEMBL1948092

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 10/20 0.36
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1439326 0.91 MLYCD (0.33) MLYCDLMNASMN1; SMN2UTS2RAR
SCHEMBL1948093 0.90 MLYCD (0.35) MLYCDLMNASMN1; SMN2UTS2RHTT
SCHEMBL1947495 0.89 LMNA (0.34) MLYCDLMNASMN1; SMN2
SCHEMBL1949940 0.88 LMNA (0.35) LMNASMN1; SMN2
SCHEMBL1950273 0.88 MT-CO2 (0.35) LMNASMN1; SMN2
SCHEMBL1947563 0.87 SMN1; SMN2 (0.32) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL1440585 0.87 MLYCD (0.39) MLYCDLMNASMN1; SMN2UTS2RMAPT
SCHEMBL1949957 0.84 TSPO (0.35) LMNASMN1; SMN2HTTARMAPT
SCHEMBL1438384 0.83 MLYCD (0.39) MLYCDRXRANR1H2NR1H3LMNA
SCHEMBL1439329 0.81 AR (0.32) MLYCDLMNASMN1; SMN2AR

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 MLYCD 3443/4885RXRA 1411/4885NR1H2 1858/4885

“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.