SCHEMBL14453033

SCHEMBL14453033

CC(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](O)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ABCB1 P08183 6/20 0.32
MAPK1 P28482 4/20 0.31
CYP3A4 P08684 3/20 0.31
TSHR P16473 2/20 0.31
GMNN O75496 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
HIF1A Q16665 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
SLC2A1 P11166 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
SCN1A P35498 1/20 0.31

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
SCHEMBL14959986 0.80 IDE (0.31) ABCB1
SCHEMBL14453034 0.80
SCHEMBL6936524 0.77 GBA1 (0.31)
SCHEMBL6155838 0.77 GBA1 (0.31)
SCHEMBL6155840 0.77 GBA1 (0.31)
SCHEMBL6158792 0.77 GBA1 (0.31)
SCHEMBL15275661 0.76 ABCB1 (0.31) ABCB1
SCHEMBL10000809 0.76 ABCB1 (0.31) ABCB1
SCHEMBL12500882 0.76 ABCB1 (0.31) ABCB1
SCHEMBL12849069 0.76 NPC1 (0.32) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070530-B1 Treatment of diseases associated with the use of antibiotics MERCK SHARP & DOHME (US) 2016-02-17 EP disclosed
US-20130274175-A1 TREATMENT OF DISEASE ASSOCIATED WITH THE USE OF ANTIBIOTICS OPTIMER PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
US-20130274175-A1 TREATMENT OF DISEASE ASSOCIATED WITH THE USE OF ANTIBIOTICS OPTIMER PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
US-20070173462-A1 Treatment of diseases associated with the use of antibiotics OPTIMER PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173462-A1 Treatment of diseases associated with the use of antibiotics OPTIMER PHARMACEUTICALS, INC. (US) 2007-07-26 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 (2 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-20130274175-A1 TREATMENT OF DISEASE ASSOCIATED WITH THE USE OF ANTIBIOTICS POLI, APC, VIL1 MAPT 2104/4885ABCB1 58/4885MAPK1 984/4885
US-20070173462-A1 Treatment of diseases associated with the use of antibiotics POLI, APC, VIL1 MAPT 1963/4885ABCB1 41/4885MAPK1 1043/4885

“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.