SCHEMBL1780378

SCHEMBL1780378

Cc1ccc(S(=O)(=O)n2c(-c3c[nH]c4ccc(C(=O)O)cc34)cc3c(-c4c(C)noc4C)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.37
PTPN11 Q06124 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
BRD4 O60885 6/20 0.34
BRD2 P25440 2/20 0.34
HTR7 P34969 3/20 0.34
HTR6 P50406 3/20 0.34
CYP3A4 P08684 2/20 0.34
HTR1A P08908 2/20 0.34
CYP2D6 P10635 2/20 0.34
DRD2 P14416 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CREBBP Q92793 1/20 0.33
BTK Q06187 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL1778043 0.87 USP2 (0.42) BRD4BRD2HTR7HTR6CYP3A4
SCHEMBL1779995 0.85 SCN9A (0.39) P2RY14PTPN11PTGDR2BRD4BRD2
SCHEMBL1779286 0.84 HTR7 (0.38) PTGDR2HTR7HTR6CYP3A4HTR1A
SCHEMBL1778913 0.84 PTGDR2 (0.39) PTPN11PTGDR2HTR7HTR6CYP3A4
SCHEMBL1778759 0.75 BRD4 (0.43) PTGDR2BRD4BRD2ALDH1A1GAA
SCHEMBL1780028 0.75 PTGDR2 (0.43) PTGDR2CYP3A4LMNAALDH1A1MAPT
SCHEMBL1778448 0.74 MAPT (0.46) PTGDR2HTR7HTR6HTR1ALMNA
SCHEMBL1779828 0.74 BRD4 (0.41) P2RY14BRD4BRD2CYP3A4CYP2D6
SCHEMBL1779946 0.73 MAPT (0.46) PTGDR2HTR7HTR6HTR1ADRD2
SCHEMBL1777861 0.72 MAPT (0.48) PTGDR2HTR7HTR6HTR1ALMNA

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 P2RY14 1803/4885PTPN11 490/4885PTGDR2 803/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 P2RY14 496/4885PTPN11 789/4885PTGDR2 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.