SCHEMBL4435358

SCHEMBL4435358

NC1C2CC3CC1CC(C(=O)NCC(=O)O)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.39
HSD11B2 P80365 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL1758666 0.85 HTT (0.68) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL3663772 0.81 HTT (0.51) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL12861207 0.80 LMNA (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL6880359 0.79 KDM4E (0.45) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL12861217 0.79 KMT2A (0.44) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL1161063 0.77 THRB (0.47) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL1844594 0.76 HSD11B1 (0.40) HTTKDM4EALDH1A1HSD11B1HSD11B2
SCHEMBL974023 0.76 HSD11B1 (0.40) HTTKDM4EALDH1A1HSD11B1HSD11B2
SCHEMBL12696579 0.76 HSD11B1 (0.40) HTTKDM4EALDH1A1HSD11B1HSD11B2
SCHEMBL12693260 0.76 HSD11B1 (0.40) HTTKDM4EALDH1A1HSD11B1HSD11B2

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-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 KMT2A 1246/4885MEN1 2276/4885HTT 1576/4885

“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.