SCHEMBL21786770

SCHEMBL21786770

CC(C)N(C)C(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
ENPP2 Q13822 2/20 0.41
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
CA2 P00918 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
LIMK2 P53671 2/20 0.38
GRM1 Q13255 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1742643 0.83 NPSR1 (0.51) ENPP2LPLLIPGCA2TRPV1
SCHEMBL134473 0.80 ALDH1A1 (0.55) ENPP2LPLLIPGCA2TRPV1
SCHEMBL1081442 0.79 CA2 (0.43) ENPP2LPLLIPGCA2TRPV1
SCHEMBL12302001 0.79 ALDH1A1 (0.48) HDAC4GRM1HPGDALDH1A1SMN1; SMN2
SCHEMBL4503118 0.79 CA1 (0.47) HDAC4CA2LIMK2HPGDALDH1A1
SCHEMBL25870881 0.77 USP5 (0.50) HDAC4LIMK2HPGDALDH1A1SMN1; SMN2
SCHEMBL13034674 0.77 HDAC4 (0.49) HDAC4CA2GRM1HPGDALDH1A1
SCHEMBL394512 0.76 HSD11B1 (0.53) HDAC4LIMK2HPGDALDH1A1SMN1; SMN2
SCHEMBL2701722 0.76 ERN1 (0.53) CA2TRPV1HPGDALDH1A1SMN1; SMN2
SCHEMBL25041339 0.74 LIMK2 (0.43) HDAC4LIMK2HPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT HDAC4 4087/4885ENPP2 1916/4885LPL 2816/4885

“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.