SCHEMBL1949752

SCHEMBL1949752

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.39
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
LMNA P02545 2/20 0.35
PMP22 Q01453 1/20 0.35
NLRP3 Q96P20 1/20 0.35
BCL2A1 Q16548 2/20 0.35
KMT2A Q03164 3/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL1949169 0.90 ADRB2 (0.33) LMNAKMT2A
SCHEMBL1950134 0.89 MLYCD (0.36) LMNAKMT2AMEN1MAPT
SCHEMBL1950109 0.89 ALDH1A1 (0.33) MMP2MMP9CYP3A4CYP2C19CYP2C9
SCHEMBL1946881 0.89 ADRB2 (0.34) CYP3A4LMNABCL2A1KMT2AMEN1
SCHEMBL1438384 0.86 MLYCD (0.39) MMP2MMP9LMNAMAPTPPARA
SCHEMBL1947504 0.85 HTT (0.36) MMP2MMP9LMNAKMT2AMEN1
SCHEMBL1949099 0.84 SERPINE1 (0.38)
SCHEMBL2477346 0.82 KMT2A (0.42) MMP2MMP9CYP3A4CYP1A2CYP2D6
SCHEMBL1950273 0.82 MT-CO2 (0.35) MT-CO2MMP2MMP9CYP3A4CYP1A2
SCHEMBL6525038 0.76 MLYCD (0.38) CYP3A4CYP1A2CYP2C19CYP2C9NFKB1

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.