SCHEMBL5166282

SCHEMBL5166282

CC(=O)NC(OC(C)=O)[C@H](C)CCc1ccc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
ACACB O00763 3/20 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 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL5166293 1.00 L3MBTL1 (0.36) L3MBTL1TRPV1POLBKDM4EABL1
SCHEMBL6302938 0.79 NAAA (0.39) LMNACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL5168214 0.79 ACACB (0.33) TRPV1ACACB
SCHEMBL5168201 0.79 ACACB (0.33) TRPV1ACACB
SCHEMBL5166176 0.78 POLB (0.43) L3MBTL1POLBALDH1A1HPGDSMN1; SMN2
SCHEMBL5166183 0.78 POLB (0.43) L3MBTL1POLBALDH1A1HPGDSMN1; SMN2
SCHEMBL5168835 0.73 PTGER4 (0.34) LMNAACACBCYP3A4CYP2D6CYP2C9
SCHEMBL27748238 0.68 L3MBTL1 (0.44) L3MBTL1POLBKDM4EALDH1A1HPGD
SCHEMBL4967153 0.66 L3MBTL1 (0.47) L3MBTL1POLBKDM4ELMNAALDH1A1
SCHEMBL5320621 0.65 RPS6KB2 (0.51) L3MBTL1KDM4ELMNAMAPTALDH1A1

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 L3MBTL1 1321/4885TRPV1 3736/4885POLB 2838/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A L3MBTL1 1321/4885TRPV1 3736/4885POLB 2838/4885

“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.