SCHEMBL1777494

SCHEMBL1777494

COc1cc2c(I)cn(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.49
TLR7 Q9NYK1 2/20 0.49
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 1/20 0.40
EDNRB P24530 1/20 0.40

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
SCHEMBL3101171 0.88 TLR9 (0.49) TLR9TLR7SRD5A1SRD5A2CTSV
SCHEMBL17417658 0.88 SRD5A1 (0.50) TLR9TLR7SRD5A1SRD5A2CTSV
SCHEMBL1748816 0.87 TLR9 (0.50) TLR9TLR7SRD5A1SRD5A2CTSV
SCHEMBL17423709 0.86 TLR9 (0.47) TLR9TLR7SRD5A1SRD5A2CTSV
SCHEMBL25358856 0.82 SRD5A2 (0.42) SRD5A2CNR1CNR2
SCHEMBL18474167 0.82 TLR9 (0.46) TLR9TLR7SRD5A1SRD5A2CNR1
SCHEMBL18474166 0.80 SRD5A1 (0.55) TLR9TLR7SRD5A1SRD5A2CTSV
SCHEMBL18418489 0.79 CNR1 (0.39) TLR9TLR7SRD5A2CNR1CNR2
SCHEMBL23883610 0.79 LTB4R (0.42) TLR9TLR7CNR2EDNRA
SCHEMBL31689015 0.77 APP (0.41) TLR9NPC1RAB9ASMN1; SMN2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 TLR9 4797/4885TLR7 4446/4885SRD5A1 1468/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 TLR9 1739/4885TLR7 2360/4885SRD5A1 2656/4885

“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.