SCHEMBL4463288

SCHEMBL4463288

Cc1ccc(C(=O)N(c2cccc(C(C)(C)C)c2)[S@+](C)[O-])cc1-n1cc(C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.37
RXRB P28702 1/20 0.37
EGLN1 Q9GZT9 8/20 0.35
ABL1 P00519 4/20 0.34
BCR P11274 4/20 0.34
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
BTK Q06187 1/20 0.32
TEK Q02763 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL4479194 1.00 RXRA (0.37) RXRARXRBEGLN1ABL1BCR
SCHEMBL4477906 0.81 KDM4E (0.36) RXRARXRBHDAC8TEK
SCHEMBL4479657 0.81 KDM4E (0.36) RXRARXRBHDAC8TEK
SCHEMBL4484461 0.77 BRAF (0.40) EGLN1ABL1BCRHPGDSALKBH2
SCHEMBL4478699 0.76 EGLN1 (0.44) EGLN1ABL1BCR
SCHEMBL4479189 0.74 ABL1 (0.42) EGLN1ABL1BCR
SCHEMBL4463276 0.74 ABL1 (0.42) EGLN1ABL1BCR
SCHEMBL4463281 0.74 ABL1 (0.42) EGLN1ABL1BCR
SCHEMBL4491870 0.73 EGLN1 (0.35) RXRARXRBEGLN1ABL1BCR
SCHEMBL4486668 0.71 XDH (0.40) EGLN1TEK

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 RXRA 1673/4885RXRB 1643/4885EGLN1 2320/4885

“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.