SCHEMBL4409731

SCHEMBL4409731

CC(C)(C)[Si](C)(C)OOC[C@H](OO[Si](C)(C)C(C)(C)C)[C@H](COOCc1ccccc1)OO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
CA1 P00915 1/20 0.32
TSHR P16473 2/20 0.32
PPARA Q07869 1/20 0.31
BCHE P06276 1/20 0.30
CASR P41180 1/20 0.30
FEN1 P39748 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL4410124 0.93 IDO1 (0.31) IDO1AGXTCA1
SCHEMBL4563246 0.93 IDO1 (0.31) IDO1AGXTCA1
SCHEMBL28045261 0.83 IDO1 (0.43) IDO1AGXTTSHRALDH1A1LMNA
SCHEMBL5215859 0.76 PPARA (0.34) PPARAALDH1A1LMNA
SCHEMBL15892824 0.72 MAPT (0.34) HTT
SCHEMBL7565329 0.72 AGXT (0.48) IDO1AGXTCA1
SCHEMBL1315036 0.69 IDO1 (0.46) IDO1AGXTTSHRALDH1A1LMNA
SCHEMBL6111479 0.67 TSHR (0.48) IDO1AGXTCA1TSHRALDH1A1
SCHEMBL29291372 0.67 TSHR (0.46) IDO1AGXTCA1TSHRALDH1A1
SCHEMBL31084123 0.67 IDO1 (0.33) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
EP-1812017-A2 OPHTHAMOLOGICAL DRUGS Duke University (US) 2007-08-01 EP disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 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-20060135609-A1 Ophthamological drugs QDPR, PTGIR, PDE6C IDO1 98/4885AGXT 3360/4885CA1 1914/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C IDO1 109/4885AGXT 3079/4885CA1 1965/4885

“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.