SCHEMBL4197904

SCHEMBL4197904

CCCC[C@@H](C)CC(CC(=O)O)OS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.37
ACE2 Q9BYF1 1/20 0.36
CYP1A2 P05177 3/20 0.35
PDF Q9HBH1 1/20 0.35
MAPK1 P28482 4/20 0.35
MAPT P10636 4/20 0.35
GMNN O75496 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
HSP90AA1 P07900 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
GLA P06280 1/20 0.34
PMP22 Q01453 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
SCHEMBL6067690 0.91 ALDH1A1 (0.32) GPR84CYP1A2MAPK1MAPTGMNN
SCHEMBL4196721 0.91 ALDH1A1 (0.32) GPR84CYP1A2MAPK1MAPTGMNN
SCHEMBL4211611 0.84 RECQL (0.37) ACE2KMT2ATP53TSHR
SCHEMBL4194634 0.84 RECQL (0.37) ACE2KMT2ATP53TSHR
SCHEMBL4211615 0.84 RECQL (0.37) ACE2KMT2ATP53TSHR
SCHEMBL4199095 0.84 ALDH1A1 (0.34) LMNA
SCHEMBL6802604 0.80 GPR84 (0.51) GPR84CYP1A2MAPK1MAPTGMNN
SCHEMBL4203013 0.78 KDM4E (0.39) LMNACYP2C9TSHRMMP2MMP3
SCHEMBL4203504 0.75 MGAM (0.32) MAPTKMT2ATSHR
SCHEMBL27627837 0.75 ALDH1A1 (0.36) ACE2CYP1A2MAPK1MAPTGMNN

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 1 patent. 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

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 GPR84 2070/4885ACE2 964/4885CYP1A2 2474/4885

“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.