SCHEMBL14010069

SCHEMBL14010069

CC(=O)C(C)(C)Cc1c(C)cccc1OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.42
INPP5A Q14642 4/20 0.42
INPP5B P32019 2/20 0.42
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
SRC P12931 4/20 0.36
MAPT P10636 1/20 0.36
AKT1 P31749 1/20 0.34
PTPN1 P18031 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL14010073 0.81 PTPN1 (0.48) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL14873906 0.72 INPPL1 (0.42) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL28046741 0.71 PLK1 (0.46) INPPL1INPP5AINPP5BHTR2AHTR2C
SCHEMBL29429257 0.70 MAPT (0.67) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL759513 0.70 MAPT (0.67) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL1100136 0.69 INPPL1 (0.57) INPPL1INPP5AINPP5BKDM4EUSP2
Phosphoric Acid SCHEMBL27473336 0.69 MAPT (0.65) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL31555373 0.69 INPPL1 (0.57) INPPL1INPP5AINPP5BKDM4EUSP2
O-Xylene SCHEMBL29031713 0.68 INPPL1 (0.55) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL29199066 0.68 INPPL1 (0.55) INPPL1INPP5AINPP5BKDM4EUSP2

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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS INPPL1 78/4885INPP5A 43/4885INPP5B 45/4885

“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.