SCHEMBL29318860

SCHEMBL29318860

Nc1ccc2ccc(S(=O)(=O)O)c(N)c2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
SUMO2 P61956 2/20 0.43
SUMO1 P63165 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP2 Q9HC62 2/20 0.43
NQO1 P15559 1/20 0.40
CYP1A2 P05177 2/20 0.39
CTRB1 P17538 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CASP6 P55212 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL6472138 0.89 AURKA (0.41) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL9614841 0.81 TTR (0.50) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL3205852 0.77 AURKA (0.57) AURKAAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL27800252 0.77 AURKA (0.50) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL1755221 0.76 TTR (0.49) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL19569832 0.76 CYP1A2 (0.59) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL10881186 0.75 AURKA (0.49) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL10437095 0.75 SUMO2 (0.63) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL9680157 0.74 AURKA (0.47) AURKAAURKBSUMO2SUMO1SENP7
SCHEMBL7027692 0.74 AURKA (0.53) AURKAAURKBSUMO2SUMO1SENP7

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 AURKA 2308/4885AURKB 1635/4885SUMO2 3456/4885

“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.