SCHEMBL20127900

SCHEMBL20127900

CNOCc1cccc(B(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.55
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MGLL Q99685 2/20 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
SCHEMBL8528 0.80 ENPP2 (0.61) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL12793048 0.77 ENPP2 (0.56) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL19492760 0.77 ENPP2 (0.56) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL5872608 0.77 ENPP2 (0.72) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL3724201 0.77 ENPP2 (0.60) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL14042197 0.77 IDO1 (0.58) KDM4E
SCHEMBL522289 0.76 ENPP2 (0.55) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL6359054 0.75 ALDH1A1 (0.58) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL19492498 0.75 LPL (0.57) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL2557515 0.75 ENPP2 (0.56) ENPP2LPLLIPG

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-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery NORTHEASTERN UNIVERSITY 2018-05-10 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-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery HTR5A, HTR3A, HTR1A ENPP2 327/4885LPL 659/4885LIPG 1585/4885

“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.