SCHEMBL13428218

SCHEMBL13428218

C[C@@H](C(=O)O[C@H]1CC(C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
PTGS1 P23219 6/20 0.56
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCL8 P10145 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL13428215 1.00 PTGS2 (0.56) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2677602 0.84 PTGS2 (0.48) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8922667 0.84 PTGS2 (0.48) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16811763 0.82 PTGS2 (0.72) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29055589 0.80 PTGS2 (0.65) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30578089 0.80 PTGS2 (0.65) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL28229773 0.78 PTGS2 (0.62) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18100905 0.76 PTGS2 (0.60) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2678004 0.76 PTGS1 (0.56) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2678000 0.76 PTGS1 (0.56) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-03-18 US disclosed
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-03-18 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-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PTGS2 3832/4885PTGS1 3295/4885MAPT 415/4885

“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.