SCHEMBL2678004

SCHEMBL2678004

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.56
PTGS2 P35354 6/20 0.56
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 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
HTT P42858 2/20 0.42

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
SCHEMBL8924011 1.00 PTGS1 (0.56) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL2678000 1.00 PTGS1 (0.56) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL18100905 0.81 PTGS2 (0.60) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL30578089 0.80 PTGS2 (0.65) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL29055589 0.80 PTGS2 (0.65) PTGS1PTGS2MAPTALDH1A1CXCR1
Ammonia Solution, Strong SCHEMBL28229773 0.78 PTGS2 (0.62) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL14435173 0.77 PTGS2 (0.55) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL5346565 0.77 PTGS2 (0.54) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL13681337 0.77 PTGS2 (0.54) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL24354951 0.76 CHRNA7 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563776-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2013-10-22 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8188311-B2 L-threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-29 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-20100069446-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
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS (US) 2010-01-07 US disclosed
US-7589233-B2 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2009-09-15 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
US-20060287244-A1 L-Threonine derivatives of high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-12-21 US disclosed
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 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 (6 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-20100069446-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PTGS1 3295/4885PTGS2 3832/4885MAPT 415/4885
US-20100004481-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PTGS1 3295/4885PTGS2 3832/4885MAPT 415/4885
US-20060287244-A1 L-Threonine derivatives of high therapeutic index BCAT1, AADAT, TPI1 PTGS1 3295/4885PTGS2 3832/4885MAPT 415/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 PTGS1 858/4885PTGS2 1068/4885MAPT 3272/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 PTGS1 858/4885PTGS2 1068/4885MAPT 3272/4885
US-20100069489-A1 L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX BCAT1, AADAT, TPI1 PTGS1 3295/4885PTGS2 3832/4885MAPT 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.