SCHEMBL6399249

SCHEMBL6399249

N[C@@H](CO)C(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.74
HDAC8 Q9BY41 1/20 0.68
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
CYP2D6 P10635 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPT P10636 2/20 0.66
BLM P54132 2/20 0.66
CYP1A2 P05177 1/20 0.66
IDO1 P14902 1/20 0.66
HPGD P15428 1/20 0.66
NOTUM Q6P988 1/20 0.66
TRPV1 Q8NER1 7/20 0.60
PTGS2 P35354 4/20 0.60
FAAH O00519 2/20 0.60
PTGS1 P23219 1/20 0.58
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR2C P28335 3/20 0.57

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
SCHEMBL24277478 1.00 SPR (0.74) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL29804259 0.91 HDAC8 (0.77) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL20168582 0.91 HDAC8 (0.77) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL20168578 0.91 HDAC8 (0.77) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL15145420 0.87 SPR (0.77) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL7706652 0.86 SPR (0.68) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL15145410 0.85 HDAC8 (0.68) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL12720784 0.85 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL1132343 0.85 CTSC (0.76) SPRHDAC8KDM4EALDH1A1NPSR1
SCHEMBL5121693 0.83 NPSR1 (0.67) SPRHDAC8KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
EP-4211114-A1 SMALL MOLECULE INHIBITORS OF ENPP1 The Regents of the University of California (US) 2023-07-19 EP disclosed
WO-2022056068-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) 2022-03-17 WO disclosed
WO-2022056068-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) 2022-03-17 WO disclosed
US-20050019841-A1 Modulation of signaling pathways ARBOR VITA CORPORATION (US) 2005-01-27 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-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 ENPP1, ENPP2, ENPP3 SPR 4433/4885HDAC8 2715/4885KDM4E 4070/4885

“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.