SCHEMBL5166179

SCHEMBL5166179

CC(=O)NC(C[C@@H](C)COC(C)=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GFER P55789 1/20 0.39
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 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
SCHEMBL5166287 0.79 MTNR1A (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19MTNR1A
SCHEMBL5168209 0.73 ACACB (0.33)
SCHEMBL6302935 0.72 NAAA (0.36) ALDH1A1CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL8417460 0.72 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5168968 0.71 CTSK (0.43) TSHR
SCHEMBL7723792 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19GFER
SCHEMBL5168568 0.70 CTSK (0.43) HPGDSMN1; SMN2ALOX15TP53
Methane SCHEMBL11683717 0.68 TACR3 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19GFER
SCHEMBL5127639 0.67 LMNA (0.48) ALDH1A1MTNR1AMTNR1BSMN1; SMN2L3MBTL1
SCHEMBL7701579 0.66 ALOX5 (0.43) CCR5ALDH1A1CYP3A4CYP2C9CYP2C19

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 CCR5 18/4885KCNH2 2048/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CCR5 18/4885KCNH2 2048/4885ALDH1A1 129/4885

“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.