SCHEMBL6525920

SCHEMBL6525920

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.34
CYP3A4 P08684 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1440585 0.89 MLYCD (0.39) MLYCDCYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL1439326 0.87 MLYCD (0.33) MLYCDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL6527272 0.86 KMT2A (0.37) CYP3A4SMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL6523153 0.86 SMN1; SMN2 (0.36) CYP3A4SMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL1439329 0.85 AR (0.32) MLYCDSMN1; SMN2LMNAAR
SCHEMBL6519022 0.85 ALDH1A1 (0.36) CYP3A4SMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL6521242 0.85 CYP3A4 (0.36) MLYCDCYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL6526993 0.83 SERPINE1 (0.40) MLYCDMEN1KMT2ATDP1KDM4E
SCHEMBL6520946 0.82 POLB (0.38) CYP3A4SMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL1438225 0.82 RECQL (0.46) CYP3A4SMN1; SMN2LMNAALDH1A1ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MLYCD 3443/4885CYP3A4 3914/4885SMN1; SMN2 1538/4885

“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.