SCHEMBL6517580

SCHEMBL6517580

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.41
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
ACHE P22303 2/20 0.38
OPRM1 P35372 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
PMP22 Q01453 2/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL2477346 0.88 KMT2A (0.42) BCL2A1CYP3A4SMN1; SMN2ALDH1A1HIF1A
SCHEMBL6521363 0.85 CYP3A4 (0.38) CYP3A4SMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL6526969 0.85 ALDH1A1 (0.38) CYP3A4SMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL6520843 0.85 MLYCD (0.40) CYP3A4SMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL6525038 0.82 MLYCD (0.38) CYP3A4SMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL1946881 0.81 ADRB2 (0.34) BCL2A1CYP3A4ALDH1A1KMT2ALMNA
SCHEMBL6519394 0.81 SERPINE1 (0.44)
SCHEMBL6521794 0.80 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL6527257 0.79 SLC6A4 (0.33) TSHR
SCHEMBL6521242 0.76 CYP3A4 (0.36) BCL2A1CYP3A4SMN1; SMN2ALDH1A1HIF1A

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 4 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
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 BCL2A1 3468/4885CYP3A4 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.