SCHEMBL24974792

SCHEMBL24974792

C=C(S)CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL22693649 0.83 TDP1 (0.53) TDP1GAAMEN1KMT2AMAOA
SCHEMBL14341249 0.83 GAA (0.54) TDP1GAAMEN1KMT2AMAOA
SCHEMBL18385844 0.81 TDP1 (0.51) TDP1GAAMEN1KMT2AMAOA
SCHEMBL7434241 0.81 TDP1 (0.59) TDP1GAAMEN1KMT2AMAOA
SCHEMBL18902256 0.81 TDP1 (0.46) TDP1GAAMEN1KMT2AMAOA
SCHEMBL4926959 0.80 GAA (0.51) TDP1GAAMEN1KMT2AMAOA
SCHEMBL20257493 0.80 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL20884586 0.80 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL23350290 0.80 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL3341020 0.80 TDP1 (0.67) TDP1GAAMEN1KMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 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 (2 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN TDP1 423/4885GAA 1382/4885MEN1 4232/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 TDP1 1361/4885GAA 1470/4885MEN1 3277/4885

“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.