SCHEMBL3046023

SCHEMBL3046023

COC(=O)CC1SCCCS1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
BRD4 O60885 1/20 0.36
HSD17B10 Q99714 3/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EPHX2 P34913 3/20 0.33
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL13247590 0.91 TSHR (0.40) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL14524250 0.75 EPHX2 (0.38) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL3047626 0.73 FAAH (0.37) TSHRHTTFAAH
SCHEMBL8886486 0.72
SCHEMBL342900 0.71 FAAH (0.32) FAAH
SCHEMBL8444550 0.67 EPHX2 (0.44) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL3631878 0.67
SCHEMBL868953 0.67 BRD4 (0.47) TSHRBRD4EPHX2
SCHEMBL7567228 0.67 FAAH (0.38) TSHRBRD4HTTFAAH
SCHEMBL8307011 0.67 TSHR (0.42) TSHRBRD4HSD17B10GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
EP-1954322-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE University of Rochester (US) 2008-08-13 EP disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 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 (2 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-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use TXNRD2, HADHA, PRDX5 TSHR 4649/4885BRD4 4220/4885HSD17B10 293/4885
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 TSHR 4649/4885BRD4 4220/4885HSD17B10 293/4885

“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.