SCHEMBL1950277

SCHEMBL1950277

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL2A1 Q16548 2/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
PPARA Q07869 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MT-CO2 P00403 1/20 0.30
GHSR Q92847 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30

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
SCHEMBL1949941 0.91 LMNA (0.34) LMNASMN1; SMN2
SCHEMBL1947566 0.90 LMNA (0.32) LMNASMN1; SMN2
SCHEMBL1439329 0.90 AR (0.32) LMNASMN1; SMN2
SCHEMBL1947496 0.90 LMNA (0.33) LMNASMN1; SMN2BCL2A1
SCHEMBL1950273 0.89 MT-CO2 (0.35) MMP2MMP9LMNASMN1; SMN2BCL2A1
SCHEMBL1948093 0.89 MLYCD (0.35) LMNASMN1; SMN2
SCHEMBL1949959 0.88 TSPO (0.34) LMNASMN1; SMN2
SCHEMBL6527272 0.83 KMT2A (0.37) MMP2MMP9LMNASMN1; SMN2BCL2A1
SCHEMBL1949940 0.80 LMNA (0.35) LMNASMN1; SMN2
SCHEMBL1947563 0.79 SMN1; SMN2 (0.32) LMNASMN1; SMN2TSHR

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 MMP2 100/4885MMP9 37/4885LMNA 95/4885

“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.