SCHEMBL15070028

SCHEMBL15070028

CCC[C@H](O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
MGLL Q99685 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL28655125 0.89 MGLL (0.34) MGLLKMT2AATM
SCHEMBL8358467 0.87 GPR84 (0.46) KMT2A
SCHEMBL8359712 0.87 GPR84 (0.46) KMT2A
SCHEMBL8361662 0.87 GPR84 (0.46) KMT2A
SCHEMBL1480734 0.86 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL1820879 0.84 HDAC1 (0.38) MGLLKMT2AATM
SCHEMBL10075274 0.83 SMN1; SMN2 (0.35) ALDH1A1HPGDMGLLKMT2AATM
SCHEMBL19962869 0.81 CA2 (0.40) MGLLATM
SCHEMBL9768638 0.79 KMT2A (0.30) KMT2A
SCHEMBL19820110 0.79 CA2 (0.41) KMT2A

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-9271993-B2 Treatment of bacterial infectious diseases UNIVERSITY OF ZURICH (CH) 2016-03-01 US disclosed
US-20130165397-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES ETH ZURICH (CH) 2013-06-27 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-20130165397-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES APRT, BPGM, TLR5 ALDH1A1 255/4885CYP1A2 859/4885HPGD 633/4885

“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.