SCHEMBL25655992

SCHEMBL25655992

Cc1cc2ncnc(-c3ccc(CCCS(N)(=O)=O)nc3)c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.51
KIT P10721 14/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL25656205 0.81 ENPP1 (0.75) ENPP1KIT
SCHEMBL25656203 0.80 ENPP1 (0.48) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL31531464 0.72 ENPP1 (0.75) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL25656209 0.72 ENPP1 (0.76) ENPP1KIT
SCHEMBL23762250 0.70 ENPP1 (0.81) ENPP1KITCA12CA1CA2
SCHEMBL25656212 0.70 PIK3CD (0.38) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL25656213 0.70 PIK3CD (0.38) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL25656204 0.70 TNF (0.41) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL25656202 0.68 ENPP1 (0.56) ENPP1KITCA12CA1CA2
SCHEMBL25656211 0.68 ENPP1 (0.54) ENPP1KITPIK3CDPIK3CAPIK3CB

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 1/4885KIT 4739/4885CA12 4183/4885

“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.