SCHEMBL4937972

SCHEMBL4937972

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.39
PLA2G2C Q5R387 3/20 0.38
PDF Q9HBH1 1/20 0.37
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GNPAT O15228 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CA2 P00918 1/20 0.34
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
MMP1 P03956 2/20 0.34
POLB P06746 1/20 0.34
MMP7 P09237 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
SCHEMBL4937977 1.00 GPR84 (0.39) GPR84PLA2G2CPDFMAPK1TP53
SCHEMBL4940668 0.90 ALDH1A1 (0.34) GPR84PLA2G2CMAPK1TP53CYP1A2
SCHEMBL4940673 0.90 ALDH1A1 (0.34) GPR84PLA2G2CMAPK1TP53CYP1A2
SCHEMBL4015178 0.83 PLA2G2C (0.36) GPR84PLA2G2CPDFMAPK1MMP2
SCHEMBL4014957 0.83 PLA2G2C (0.36) GPR84PLA2G2CPDFMAPK1MMP2
SCHEMBL4011599 0.83 DPP7 (0.50) GPR84PDFCA2
SCHEMBL4008969 0.83 DPP7 (0.50) GPR84PDFCA2
SCHEMBL4009104 0.83 PLA2G2C (0.36) GPR84PLA2G2CPDFMAPK1MMP2
SCHEMBL4011308 0.83 DPP7 (0.50) GPR84PDFCA2
SCHEMBL4010197 0.83 DPP7 (0.50) GPR84PDFCA2

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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE GPR84 705/4885PLA2G2C 1648/4885PDF 1753/4885

“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.