SCHEMBL13045906

SCHEMBL13045906

CCCCC(CC)CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CTSS P25774 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 4/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14160206 0.90 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL13538023 0.90 MEN1 (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL9888101 0.90 MEN1 (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14727558 0.86 MEN1 (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL12318111 0.86 MEN1 (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL20196971 0.85 TDP1 (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL13109035 0.83 LMNA (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL24928820 0.83 TSHR (0.53) TSHRCYP3A4ALDH1A1HRH4HRH3
SCHEMBL17987690 0.82 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27685460 0.82 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A

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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 US disclosed
US-7838533-B2 Azaindole inhibitors of MTP and ApoB MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 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 (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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 CTSK 1142/4885CTSS 3097/4885MEN1 3106/4885
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob APOB, MTPN, HDLBP CTSK 1347/4885CTSS 1941/4885MEN1 4013/4885

“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.