SCHEMBL5166287

SCHEMBL5166287

CC(=O)NC(C[C@@H](C)COC(C)=O)c1ccc(Br)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ACACB O00763 3/20 0.30

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
SCHEMBL5168209 0.79 ACACB (0.33) ACACB
SCHEMBL5166179 0.79 CCR5 (0.40) MTNR1AMTNR1BCYP3A4CYP2D6CYP2C9
SCHEMBL6302935 0.76 NAAA (0.36) MTNR1AMTNR1BPOLBCYP2D6MAPT
SCHEMBL7682772 0.69 LMNA (0.38) LMNAPOLBKDM4EABL1CYP3A4
SCHEMBL6810616 0.67 CYP3A4 (0.36) LMNAPOLBKDM4EABL1CYP3A4
SCHEMBL1164094 0.66 CA2 (0.35) LMNAPOLBKDM4EALDH1A1L3MBTL1
SCHEMBL31176820 0.66 CES2 (0.38) LMNAPOLBKDM4ECYP3A4CYP2D6
SCHEMBL27748239 0.66 CES2 (0.38) LMNAPOLBKDM4EABL1CYP3A4
SCHEMBL5127639 0.64 LMNA (0.48) MTNR1AMTNR1BLMNAMAPTALDH1A1
SCHEMBL20473166 0.63 CES2 (0.38) LMNAPOLBKDM4EALDH1A1L3MBTL1

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-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MTNR1A 1025/4885MTNR1B 1395/4885LMNA 3703/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MTNR1A 1025/4885MTNR1B 1395/4885LMNA 3703/4885

“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.