SCHEMBL4479657

SCHEMBL4479657

Cc1ccc(C(=O)N(c2cccc(C(C)(C)C)c2)[S@+](C)[O-])cc1-n1cnc(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
MAP3K5 Q99683 1/20 0.31
TEK Q02763 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4477906 1.00 KDM4E (0.36) KDM4EHDAC8RXRARXRBMAP3K5
SCHEMBL4463288 0.81 RXRA (0.37) HDAC8RXRARXRBTEK
SCHEMBL4479194 0.81 RXRA (0.37) HDAC8RXRARXRBTEK
SCHEMBL4482580 0.76 KDM4E (0.34) KDM4ETEK
SCHEMBL4474214 0.76 PSEN1 (0.42) KDM4EALDH1A1
SCHEMBL4477895 0.74 HTT (0.40) ALDH1A1
SCHEMBL4479644 0.74 HTT (0.40) ALDH1A1
SCHEMBL4477899 0.74 HTT (0.40) ALDH1A1
SCHEMBL4473800 0.74 KDM4E (0.32) KDM4E
SCHEMBL4476625 0.72 TEK (0.34) TEK

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-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US claimed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 KDM4E 4443/4885HDAC8 1044/4885RXRA 1673/4885

“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.