SCHEMBL5168835

SCHEMBL5168835

CC(=O)NC(OC(C)=O)C(C)CCc1ccc(C#CCCCc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 2/20 0.33
CXCR2 P25025 1/20 0.33
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAAA Q02083 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5168825 1.00 PTGER4 (0.34) PTGER4GRM5ALDH1A1CYP3A4CYP2D6
SCHEMBL6302933 0.84 NAAA (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6302938 0.84 NAAA (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5168214 0.84 ACACB (0.33) ACACBDPP4
SCHEMBL5168201 0.84 ACACB (0.33) ACACBDPP4
Oxalic Acid SCHEMBL5168940 0.79 PTGER4 (0.38) PTGER4GRM5
SCHEMBL5167372 0.79 GRM5 (0.40) PTGER4GRM5
SCHEMBL5169144 0.77 RAB9A (0.42) GRM5ALDH1A1ACACBSMN1; SMN2
SCHEMBL5169152 0.77 RAB9A (0.42) GRM5ALDH1A1ACACBSMN1; SMN2
Oxalic Acid SCHEMBL5168183 0.73 PTGER4 (0.38) PTGER4GRM5DPP4

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 PTGER4 756/4885GRM5 982/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PTGER4 756/4885GRM5 982/4885ALDH1A1 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.