SCHEMBL24847372

SCHEMBL24847372

CSCC(C)CCNC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTT P42858 1/20 0.32
ERCC1 P07992 1/20 0.32

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
SCHEMBL20810611 0.79 USP2 (0.46) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL14076746 0.79 ANPEP (0.42) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL22600632 0.78 TSHR (0.40) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL12633370 0.77 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9TSHR
SCHEMBL11129 0.76 ANPEP (0.55) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL12131751 0.75 USP2 (0.55) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL20687626 0.74 ALDH1A1 (0.50) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL19915434 0.73 DPP7 (0.47) KMT2ACYP2C19CYP2D6CYP2C9TSHR
SCHEMBL21214691 0.72 KMT2A (0.42) KMT2ACYP2C19CYP2D6CYP2C9ANPEP
SCHEMBL23788919 0.72 KMT2A (0.42) KMT2ACYP2C19CYP2D6CYP2C9ANPEP

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 KMT2A 3030/4885CYP2C19 3146/4885CYP2D6 545/4885

“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.