SCHEMBL10016684

SCHEMBL10016684

CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)CC2CCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ GAA P10253 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CPB1 P15086 1/20 0.43
▸ CXCR3 P49682 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL20404573 0.74 ALDH1A1 (0.55) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20393915 0.73 ALDH1A1 (0.63) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20249123 0.72 ALDH1A1 (0.45) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20249120 0.72 ALDH1A1 (0.45) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20388022 0.69 SMN1; SMN2 (0.58) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20393943 0.69 ALDH1A1 (0.68) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20393922 0.69 ALDH1A1 (0.68) ALDH1A1GAAPOLBSMN1; SMN2HPGD
SCHEMBL14365916 0.68 ALDH1A1 (0.56) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20387957 0.67 ALDH1A1 (0.72) ALDH1A1GAAPOLBHTTSMN1; SMN2
SCHEMBL20388024 0.67 ALDH1A1 (0.68) ALDH1A1GAAPOLBSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163788-B2 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT BONN (DE) 2012-04-24 — — US disclosed
US-8163788-B2 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT BONN (DE) 2012-04-24 — — US disclosed
US-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2009-04-23 — — US disclosed
US-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2009-04-23 — — 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-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors CYTH2, CYTH3, ENTPD5 ALDH1A1 4265/4885GAA 1613/4885POLB 3390/4885

“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.

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