SCHEMBL4198577

SCHEMBL4198577

CCCC[C@@H](C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PLA2G2C Q5R387 1/20 0.39
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.37
STAT3 P40763 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4198584 1.00 CA12 (0.44) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL3754483 0.95 CA12 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL20599578 0.94 MCHR1 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL23269990 0.94 MCHR1 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL23269992 0.94 MCHR1 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL4203518 0.91 CA2 (0.50) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL4203522 0.91 CA2 (0.50) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL22844211 0.88 CA12 (0.39) CA12CA2CA9ALDH1A1CYP2C9
SCHEMBL22844133 0.88 CA12 (0.39) CA12CA2CA9ALDH1A1CYP2C9
SCHEMBL14476333 0.88 PLA2G2C (0.43) CA12CA2CA9PLA2G2CMCHR1

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
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A CA12 2515/4885CA2 131/4885CA9 2575/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A CA12 2515/4885CA2 131/4885CA9 2575/4885
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 CA12 2399/4885CA2 106/4885CA9 2337/4885

“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.