SCHEMBL2230908

SCHEMBL2230908

CCC(=O)OCCn1ccnc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.42
FPR2 P25090 5/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
AGTR2 P50052 2/20 0.36

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
SCHEMBL47376 0.80 SMN1; SMN2 (0.65) SMN1; SMN2FPR2
SCHEMBL27758080 0.79 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL24129189 0.77 SMN1; SMN2 (0.53) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL24127751 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL24129464 0.75 SMN1; SMN2 (0.54) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL15014467 0.74 SMN1; SMN2 (0.60) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2627813 0.74 SMN1; SMN2 (0.97) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL2627811 0.73 SMN1; SMN2 (0.63) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL1646593 0.73 SMN1; SMN2 (0.46) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL4395997 0.73 SMN1; SMN2 (0.72) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19

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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 SMN1; SMN2 3682/4885GAA 1536/4885FPR2 854/4885

“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.