SCHEMBL26019458

SCHEMBL26019458

CCOP(=O)(O)OP(=O)(O)OC[C@@H](OC)[C@@H](OP(=O)(O)O)[C@@H](O)n1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.52
ENPP3 O14638 1/20 0.51
P2RY1 P47900 7/20 0.41
P2RY2 P41231 4/20 0.41
P2RX1 P51575 2/20 0.41
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41
SRC P12931 1/20 0.41
P2RX4 Q99571 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY11 Q96G91 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MACROD2 A1Z1Q3 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
MACROD1 Q9BQ69 1/20 0.39
TRPM2 O94759 1/20 0.39
ENTPD1 P49961 1/20 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
SCHEMBL14853803 0.76 ENPP1 (0.61) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL26972786 0.75 TRPM2 (0.63) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL16374060 0.74 ENPP1 (0.57) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL25564637 0.74 ENPP1 (0.50) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL21078479 0.73 ENPP1 (0.61) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL19993815 0.73 ENPP1 (0.54) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL26255660 0.73 ADORA2A (0.45) ALDH1A1SMN1; SMN2ADORA2AADORA2BADORA1
SCHEMBL19760468 0.71 ENPP1 (0.53) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL23171493 0.71 ENPP1 (0.49) ENPP1ENPP3P2RY1P2RY2P2RX1
SCHEMBL20057109 0.70 ADORA2A (0.51) ENPP1ENPP3ADORA2AADORA2BADORA1

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-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease ESPERVITA THERAPEUTICS, INC. (US) 2023-08-22 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-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease CPT1A, PPARG, PC ENPP1 3103/4885ENPP3 2881/4885P2RY1 2441/4885

“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.