SCHEMBL5165260

SCHEMBL5165260

C[C@@H](COC(=O)C(=O)OC[C@H](C)CC(N)c1ccc(C(=O)CCCc2ccccc2)s1)CC(N)c1ccc(C(=O)CCCc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL6306485 0.97 CES1 (0.40) FAAHCES1
SCHEMBL5168867 0.84 CES1 (0.40) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL6305328 0.83 ALOX5 (0.38) LMNACES1GRIK1
SCHEMBL5165534 0.82 LTB4R (0.39) LMNAPKMFAAHGRIK1
SCHEMBL5168944 0.80 GRM5 (0.34) LMNAGRIK1
SCHEMBL5168187 0.77 FFAR1 (0.36) SMN1; SMN2
SCHEMBL5168152 0.74 LMNA (0.39) NPC1RAB9ATDP1LMNASMN1; SMN2
Oxalic Acid SCHEMBL5165255 0.67 TDP1 (0.41) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL387695 0.66 HCAR2 (0.43) TDP1LMNAFAAHCES1
SCHEMBL5167288 0.65 POLB (0.43) TDP1LMNAFAAHCES1

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 NPC1 3349/4885CASP3 1219/4885RAB9A 1895/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A NPC1 3349/4885CASP3 1219/4885RAB9A 1895/4885

“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.