SCHEMBL21486168

SCHEMBL21486168

CC(C)NC(=O)C1CCCN(S)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
PIK3CD O00329 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
F2R P25116 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
SCHEMBL20965464 0.91 KMT2A (0.54) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20353633 0.83 TSHR (0.47) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20315439 0.83 TSHR (0.60) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3315913 0.81 TSHR (0.62) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23260539 0.79 TSHR (0.60) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12376706 0.78 TSHR (0.59) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL21486158 0.77 TSHR (0.57) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14883715 0.75 KMT2A (0.56) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1703385 0.75 SMN1; SMN2 (0.58) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL12375164 0.75 SMN1; SMN2 (0.58) TSHRMEN1KMT2ASMN1; SMN2GAA

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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 TSHR 2126/4885KDM4E 1554/4885MEN1 3327/4885

“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.