SCHEMBL19929699

SCHEMBL19929699

C#CCN(CC#CC(O)C#C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 3/20 0.36
TAS2R14 Q9NYV8 3/20 0.36
AGER Q15109 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PAX8 Q06710 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL19929746 0.87 GLA (0.45) GLAMAPTHTTNPSR1CNR2
SCHEMBL1082207 0.83 GLA (0.69) GLAMAPTHTTCNR2TAS2R14
SCHEMBL4280108 0.74 KEAP1 (0.56) GLACNR2TAS2R14L3MBTL1KEAP1
SCHEMBL6776106 0.74 GLA (0.56) GLAMAPTHTTNPSR1CNR2
SCHEMBL30667705 0.73 GLA (0.49) GLAMAPTCNR2TAS2R14USP2
SCHEMBL21595413 0.73 GLA (0.51) GLAMAPTCNR2TAS2R14L3MBTL1
SCHEMBL2398269 0.73 GLA (0.67) GLAMAPTHTTCNR2TAS2R14
SCHEMBL21753821 0.72 GLA (0.54) GLAMAPTHTTCNR2AGER
SCHEMBL12330055 0.72 GLA (0.50) GLAMAPTHTTCNR2TAS2R14
SCHEMBL15779581 0.70 GLA (0.51) GLAMAPTCNR2TAS2R14AGER

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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 GLA 4187/4885MAPT 4110/4885HTT 4470/4885

“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.