SCHEMBL4200997

SCHEMBL4200997

CCCC(C)CC(=O)N1C(=O)OC(c2ccccc2)C1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
PTGDR2 Q9Y5Y4 8/20 0.35
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
MDM2 Q00987 1/20 0.32
TSHR P16473 1/20 0.32
CCR5 P51681 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
SCHEMBL4199856 1.00 IDH1 (0.36) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL4200994 1.00 IDH1 (0.36) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL4199859 1.00 IDH1 (0.36) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL4202889 0.93 OXER1 (0.36) IDH1PTGDR2TDP1OXER1
SCHEMBL4202888 0.93 OXER1 (0.36) IDH1PTGDR2TDP1OXER1
SCHEMBL13040583 0.90 TDP1 (0.40) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL4194714 0.90 TDP1 (0.40) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL4194718 0.90 TDP1 (0.40) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL3744875 0.89 IDH1 (0.35) IDH1PTGDR2TDP1ATMSMN1; SMN2
SCHEMBL7154474 0.89 IDH1 (0.35) IDH1PTGDR2TDP1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO 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 (1 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 IDH1 2888/4885PTGDR2 603/4885TDP1 4201/4885

“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.