SCHEMBL25656124

SCHEMBL25656124

Cc1cc2ncc(C(=O)O)c(N3CCCN(S(N)(=O)=O)CC3)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 1/20 0.37
MAPK10 P53779 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL25656126 0.91 ENPP1 (0.43) ENPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25656125 0.87 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL23726965 0.86 ENPP1 (0.61) ENPP1MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL25656012 0.86 ENPP1 (0.48) ENPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25656101 0.80 LRRK2 (0.53) ENPP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23727019 0.78 ENPP1 (0.61) ENPP1MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL25656109 0.77 ENPP1 (0.64) ENPP1
SCHEMBL23727245 0.76 PDGFRB (0.57) ENPP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25656000 0.75 ENPP1 (0.73) ENPP1MEN1KMT2AALDH1A1LMNA
SCHEMBL25656031 0.74 ALDH1A1 (0.52) ENPP1MAPTSMN1; SMN2ALDH1A1NPSR1

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 1/4885MAPT 4512/4885SMN1; SMN2 2933/4885

“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.