SCHEMBL24846501

SCHEMBL24846501

COc1ccc(NC(=O)CSc2nc3ncccc3c(=O)[nH]2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 16/20 0.78
▸ ENPP3 O14638 1/20 0.62
▸ ENPP2 Q13822 1/20 0.62
▸ TSHR P16473 1/20 0.61
▸ POLB P06746 1/20 0.58

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
SCHEMBL20305142 0.82 ENPP1 (0.74) ENPP1ENPP3ENPP2
SCHEMBL24846968 0.80 TDP1 (0.63) ENPP1
SCHEMBL12635995 0.74 SMN1; SMN2 (0.80) ENPP1TSHRPOLB
SCHEMBL20305097 0.74 ENPP1 (0.79) ENPP1ENPP3ENPP2
SCHEMBL20305107 0.73 ENPP1 (0.73) ENPP1ENPP3ENPP2TSHR
SCHEMBL20687583 0.72 ENPP1 (0.86) ENPP1
SCHEMBL20679574 0.72 ENPP1 (1.00) ENPP1
SCHEMBL25481997 0.72 TSHR (0.71) TSHRPOLB
SCHEMBL30675603 0.72 ENPP1 (1.00) ENPP1
SCHEMBL25482010 0.72 LMNA (0.76) TSHRPOLB

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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 — — 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP ENPP1 1/4885ENPP3 2/4885ENPP2 27/4885

“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.

Send feedback