SCHEMBL1778448

SCHEMBL1778448

COc1ccc2[nH]cc(-c3cc4c(C(=O)O)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
GAA P10253 1/20 0.41
MAP3K14 Q99558 1/20 0.40
CPT1A P50416 1/20 0.38
PDE4B Q07343 1/20 0.38
NR4A2 P43354 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MITF O75030 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37

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
SCHEMBL1779870 0.90 MAPT (0.44) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1777861 0.88 MAPT (0.48) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1777928 0.87 MAPT (0.48) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1779946 0.86 MAPT (0.46) MAPTPTGDR2HTR1AHTR7HTR6
SCHEMBL1780273 0.85 MAPT (0.46) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1777441 0.84 LMNA (0.43) LMNAPTGDR2HTR6MEN1KMT2A
SCHEMBL1778760 0.84 MAPT (0.43) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1779286 0.83 HTR7 (0.38) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL1777936 0.82 MAPT (0.48) MAPTLMNAPTGDR2HTR1AHTR7
SCHEMBL5403881 0.82 MAPT (0.48) MAPTLMNAHTR1AHTR7HTR6

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 MAPT 3999/4885LMNA 3913/4885PTGDR2 803/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885LMNA 3686/4885PTGDR2 1583/4885

“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.