SCHEMBL12424348

SCHEMBL12424348

CCC1CCC(CS(C)(=O)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
INPP5A Q14642 1/20 0.32
HTT P42858 1/20 0.31
SMO Q99835 1/20 0.30

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
SCHEMBL1272565 0.94
SCHEMBL14708341 0.84 KDM4E (0.32) JAK2JAK1TYK2JAK3INPP5A
SCHEMBL15014541 0.84 KDM4E (0.32) JAK2JAK1TYK2JAK3INPP5A
SCHEMBL6240484 0.83 ALDH1A1 (0.35) JAK2JAK1TYK2JAK3SMO
SCHEMBL10766978 0.83 INPP5A (0.41) INPP5AHTT
SCHEMBL4939644 0.83
SCHEMBL14060271 0.82 SMYD3 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL181132 0.82 SMYD3 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL92880 0.81 CYP1A2 (0.37)
SCHEMBL18289302 0.80 INPP5A (0.32) INPP5A

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK2 122/4885JAK1 434/4885TYK2 827/4885

“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.