SCHEMBL4989906

SCHEMBL4989906

CCOc1cccc(OCC)c1C(C)C(C)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.38
TTR P02766 1/20 0.38
CYP2C19 P33261 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LMNA P02545 1/20 0.35
MCL1 Q07820 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.34
TSHR P16473 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
SCHEMBL4993797 0.87 HSD17B10 (0.36) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4992905 0.87 L3MBTL1 (0.43) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4989432 0.86 PTGS1 (0.43) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4994844 0.86 KMT2A (0.41) L3MBTL1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL4987748 0.86 PTGS1 (0.40) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4984608 0.86 PTGS2 (0.39) PTGS1PTGS2L3MBTL1KMT2AKDM4E
SCHEMBL27665797 0.84 PTGS1 (0.43) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4984031 0.83 L3MBTL1 (0.41) PTGS1PTGS2L3MBTL1GLAKMT2A
SCHEMBL4989196 0.82 PPARG (0.40)
SCHEMBL4987467 0.80 HSD17B10 (0.36) PTGS1PTGS2L3MBTL1GLAKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PTGS1 1980/4885PTGS2 1324/4885L3MBTL1 2862/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGS1 1451/4885PTGS2 948/4885L3MBTL1 2556/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGS1 1866/4885PTGS2 1173/4885L3MBTL1 2799/4885

“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.