SCHEMBL1779286

SCHEMBL1779286

COc1ccnc2c1cc(-c1c[nH]c3ccc(C(=O)O)cc13)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.38
HTR6 P50406 4/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.38
CYP3A4 P08684 2/20 0.37
HTR1A P08908 2/20 0.37
CYP2D6 P10635 2/20 0.37
DRD2 P14416 1/20 0.37
PTPN1 P18031 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
FTO Q9C0B1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1778913 0.88 PTGDR2 (0.39) HTR7HTR6PTGDR2CYP3A4HTR1A
SCHEMBL1777861 0.88 MAPT (0.48) HTR7HTR6PTGDR2HTR1AMAPT
SCHEMBL1780378 0.84 P2RY14 (0.37) HTR7HTR6PTGDR2CYP3A4HTR1A
SCHEMBL2760600 0.84 PTGDR2 (0.38) PTGDR2CYP3A4GAAALKBH2ALKBH5
SCHEMBL1778448 0.83 MAPT (0.46) HTR7HTR6PTGDR2HTR1AMAPT
SCHEMBL1749526 0.81 EGFR (0.37) HTR7HTR6PTGDR2MAPTALDH1A1
SCHEMBL1748604 0.79 PTGDR2 (0.39) PTGDR2MAPTALDH1A1LMNA
SCHEMBL1777928 0.78 MAPT (0.48) HTR7HTR6PTGDR2HTR1ADRD2
SCHEMBL1779946 0.78 MAPT (0.46) HTR7HTR6PTGDR2HTR1ADRD2
SCHEMBL1780028 0.77 PTGDR2 (0.43) PTGDR2CYP3A4PTPN1MAPTALDH1A1

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 HTR7 1313/4885HTR6 2043/4885PTGDR2 803/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 HTR7 2833/4885HTR6 1744/4885PTGDR2 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.