SCHEMBL1949754

SCHEMBL1949754

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.36
KMT2A Q03164 3/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
CYP3A4 P08684 4/20 0.34
GHSR Q92847 1/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
PPARA Q07869 1/20 0.33
BCL2A1 Q16548 3/20 0.32
CNR2 P34972 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL1949171 0.90 SMN1; SMN2 (0.36) MLYCDKMT2ACYP3A4MEN1CYP2C19
SCHEMBL1950136 0.89 MLYCD (0.40) MLYCDKMT2ACYP3A4MEN1CYP2C19
SCHEMBL1946884 0.89 MLYCD (0.38) MLYCDKMT2ACYP3A4MEN1CYP2C19
SCHEMBL1950111 0.89 MLYCD (0.35) MLYCDKMT2ACYP3A4MEN1CYP2C19
SCHEMBL1438386 0.87 MLYCD (0.44) MLYCD
SCHEMBL1947508 0.85 KMT2A (0.36) MLYCDKMT2AGHSRMEN1SMN1; SMN2
SCHEMBL1949103 0.84 SERPINE1 (0.39) MLYCD
SCHEMBL2477346 0.76 KMT2A (0.42) KMT2AMMP2MMP9CYP3A4GHSR
SCHEMBL1948426 0.75 TSHR (0.30)
SCHEMBL1949752 0.73 MT-CO2 (0.39) KMT2AMMP2MMP9CYP3A4GHSR

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 3443/4885KMT2A 1610/4885MMP2 100/4885

“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.