SCHEMBL25656116

SCHEMBL25656116

Cc1cc2c(N3CCCN(S(C)(=O)=O)CC3)ncnc2cc1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 11/20 0.58
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDGFRB P09619 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
AURKA O14965 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
SCHEMBL25656022 0.92 ENPP1 (0.69) ENPP1GBA1RAB9AACHEBACE1
SCHEMBL25656106 0.91 ENPP1 (0.60) ENPP1ALDH1A1LMNAGBA1RAB9A
SCHEMBL25656000 0.83 ENPP1 (0.73) ENPP1ALDH1A1LMNAGBA1RAB9A
SCHEMBL25656107 0.83 ENPP1 (0.55) ENPP1ACHEBACE1PDGFRBAURKA
SCHEMBL25656112 0.83 PRKDC (0.48) ENPP1ALDH1A1LMNAACHEBACE1
SCHEMBL15314919 0.83 PRKDC (0.48) ENPP1ALDH1A1LMNAACHEBACE1
SCHEMBL25656026 0.81 ENPP1 (0.61) ENPP1ALDH1A1LMNAGBA1RAB9A
SCHEMBL25656109 0.79 ENPP1 (0.64) ENPP1GBA1RAB9AACHEBACE1
SCHEMBL23762347 0.78 ENPP1 (0.85) ENPP1ACHEBACE1AURKA
Hydrochloric Acid SCHEMBL30079993 0.77 ENPP1 (0.84) ENPP1ACHEBACE1AURKA

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ENPP1 1/4885ALDH1A1 2287/4885LMNA 3401/4885

“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.