SCHEMBL1950273

SCHEMBL1950273

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.35
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCL2A1 Q16548 2/20 0.32
PMP22 Q01453 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 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
SCHEMBL1949940 0.91 LMNA (0.35) LMNASMN1; SMN2
SCHEMBL1947563 0.90 SMN1; SMN2 (0.32) LMNASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL1439326 0.90 MLYCD (0.33) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL1947495 0.90 LMNA (0.34) LMNASMN1; SMN2BCL2A1KMT2AMEN1
SCHEMBL1950277 0.89 MMP2 (0.32) MT-CO2MMP2MMP9LMNASMN1; SMN2
SCHEMBL1948092 0.88 MLYCD (0.36) LMNASMN1; SMN2
SCHEMBL1949957 0.87 TSPO (0.35) LMNASMN1; SMN2KMT2A
SCHEMBL6527272 0.84 KMT2A (0.37) MMP2MMP9LMNASMN1; SMN2CYP3A4
SCHEMBL1949752 0.82 MT-CO2 (0.39) MT-CO2MMP2MMP9LMNACYP3A4
SCHEMBL1949941 0.80 LMNA (0.34) LMNASMN1; 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 MT-CO2 4728/4885MMP2 100/4885MMP9 37/4885

“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.