SCHEMBL3340226

SCHEMBL3340226

CC1(C)OCC(COc2cc(Cl)c(C(=N)NO)cc2Cl)O1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 2/20 0.36
KCNJ3 P48549 2/20 0.36
P2RX3 P56373 3/20 0.35
CA2 P00918 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
F10 P00742 1/20 0.34
MAPK14 Q16539 7/20 0.33
SCN9A Q15858 2/20 0.33
HCRTR2 O43614 1/20 0.32

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
SCHEMBL3340222 0.80 CA2 (0.40) KCNJ5KCNJ3P2RX3CA2F10
SCHEMBL3340232 0.80 CA2 (0.40) KCNJ5KCNJ3P2RX3CA2F10
SCHEMBL3340228 0.80 CA2 (0.40) KCNJ5KCNJ3P2RX3CA2F10
SCHEMBL2503801 0.80 CA2 (0.40) KCNJ5KCNJ3P2RX3CA2CCNK
SCHEMBL2503804 0.80 CA2 (0.40) KCNJ5KCNJ3P2RX3CA2CCNK
SCHEMBL1175439 0.77 KCNJ5 (0.36) KCNJ5KCNJ3CA2CCNKCDK12
SCHEMBL1175435 0.77 KCNJ5 (0.36) KCNJ5KCNJ3CA2CCNKCDK12
SCHEMBL1174624 0.77 KCNJ5 (0.35) KCNJ5KCNJ3P2RX3CA2CCNK
SCHEMBL1174621 0.77 KCNJ5 (0.35) KCNJ5KCNJ3P2RX3CA2CCNK
SCHEMBL3086717 0.76 MAPK14 (0.42) CA2CCNKCDK12MAPK14

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 KCNJ5 403/4885KCNJ3 449/4885P2RX3 255/4885

“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.