SCHEMBL3338341

SCHEMBL3338341

COC(=O)Cc1ccc(/C(N)=N\O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GFER P55789 1/20 0.48
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HSP90AB1 P08238 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ADRA1D P25100 1/20 0.40
LMNA P02545 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3338344 1.00 GAA (0.48) GAAALDH1A1GFERHTTTDP1
SCHEMBL13303991 1.00 GAA (0.48) GAAALDH1A1GFERHTTTDP1
SCHEMBL3451318 0.85 ALDH1A1 (0.53) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL3452531 0.84 ALDH1A1 (0.46) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL3452532 0.84 ALDH1A1 (0.46) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL2331170 0.81 ALDH1A1 (0.50) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL30632630 0.77 TSHR (0.62) GAAALDH1A1GFERHTTCYP4F2
SCHEMBL298044 0.77 TSHR (0.62) GAAALDH1A1GFERHTTCYP4F2
SCHEMBL22614997 0.77 ALDH1A1 (0.53) GAAALDH1A1GFERHTTTDP1
SCHEMBL2434505 0.76 ALDH1A1 (0.64) GAAALDH1A1GFERCYP4F2CYP4A11

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 GAA 4315/4885ALDH1A1 1246/4885GFER 4015/4885

“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.