SCHEMBL1338833

SCHEMBL1338833

NC(=O)c1ccccc1CC(O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
BCAT2 O15382 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CPA1 P15085 2/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39

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
SCHEMBL29773094 0.83 SCN9A (0.44) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL28093978 0.83 SCN9A (0.44) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL28880375 0.83 KDM4E (0.42) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL28845213 0.80 KDM4E (0.47) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL8507009 0.77 IRAK4 (0.47) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL8508451 0.77 IRAK4 (0.47) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL3377091 0.77 IRAK4 (0.47) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL1338280 0.77 L3MBTL1 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL42486 0.76 NOS3 (0.59) BCAT2KMT2AKDM4EALDH1A1MAPT
SCHEMBL30440587 0.76 NOS3 (0.59) BCAT2KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO MMP12 4638/4885MMP13 4713/4885MMP2 4330/4885

“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.