SCHEMBL3043365

SCHEMBL3043365

O=C(O)CCONCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL11211785 0.85 PAM (0.48) FFAR1FFAR4GAAKMT2AHRAS
SCHEMBL5177626 0.79 IDO1 (0.46) TSHRRECQLGAAMEN1KMT2A
SCHEMBL336981 0.76 CA2 (0.47) GAAMEN1KMT2AMAPTTDP1
Acetic Acid SCHEMBL21980115 0.76 EPHX2 (0.53) TSHRMAPK1MEN1KMT2ATDP1
SCHEMBL8603268 0.75 IDO1 (0.46) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL5506614 0.75 KDM4E (0.45) MEN1KMT2AMAPTTDP1HRAS
SCHEMBL12805042 0.75 HRAS (0.42) KEAP1GAAMEN1KMT2AMAPT
SCHEMBL15103137 0.74 IDO1 (0.50) TSHRGAAMEN1KMT2AMAPT
SCHEMBL21611670 0.73 STING1 (0.54) TSHRRECQLGAASMN1; SMN2MEN1
SCHEMBL27315456 0.73 IDO1 (0.53) RECQLGAASMN1; SMN2MAPTEPHX2

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-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US claimed
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-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 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 (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 KEAP1 402/4885FFAR1 306/4885FFAR4 373/4885
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 KEAP1 402/4885FFAR1 306/4885FFAR4 373/4885

“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.