SCHEMBL3072842

SCHEMBL3072842

CC(C)(C)CC(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.56
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL1562841 0.85 HPSE (0.60) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL25734944 0.83 HPSE (0.50) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1561845 0.81 HPSE (0.53) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL6234424 0.81 HPSE (0.52) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL905783 0.80 HPSE (0.64) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL10098857 0.79 ALDH1A1 (0.51) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18493192 0.79 HPSE (0.50) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL19649562 0.78 HPSE (0.53) HPSEALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1562499 0.78 ALDH1A1 (0.54) HPSEALDH1A1HSD17B10ALOX15TP53
SCHEMBL5651138 0.78 HPSE (0.50) HPSEALDH1A1KMT2AMEN1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US claimed
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO 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-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA HPSE 1/4885ALDH1A1 2428/4885KMT2A 1428/4885

“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.