SCHEMBL1778702

SCHEMBL1778702

COc1ccc2c(c1)c(B(O)O)cn2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.46
HTR6 P50406 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
AKR1C2 P52895 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MTNR1A P48039 5/20 0.40
MTNR1B P49286 4/20 0.40
ALDH1A1 P00352 2/20 0.39
STS P08842 1/20 0.39
AKR1C4 P17516 1/20 0.38
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29954772 1.00 AKR1C3 (0.46) AKR1C3HTR6L3MBTL1AKR1C2PDE10A
SCHEMBL29957304 0.84 HTR6 (0.46) HTR6L3MBTL1ALDH1A1STSKDM4E
SCHEMBL18386657 0.84 AKR1C3 (0.48) AKR1C3HTR6L3MBTL1AKR1C2PDE10A
SCHEMBL29443995 0.84 ALDH1A1 (0.48) AKR1C3HTR6AKR1C2PDE10AALDH1A1
SCHEMBL4376044 0.84 ALDH1A1 (0.48) AKR1C3HTR6AKR1C2PDE10AALDH1A1
SCHEMBL3054343 0.83 HTR6 (0.45) HTR6L3MBTL1ALDH1A1KDM4E
SCHEMBL29992688 0.83 AKR1C3 (0.47) AKR1C3HTR6L3MBTL1AKR1C2PDE10A
SCHEMBL29950705 0.83 HTR6 (0.45) HTR6L3MBTL1ALDH1A1KDM4E
SCHEMBL29942639 0.83 AKR1C3 (0.47) AKR1C3HTR6L3MBTL1AKR1C2PDE10A
SCHEMBL29992656 0.83 AKR1C3 (0.47) AKR1C3HTR6L3MBTL1AKR1C2PDE10A

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 14 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-7259154-B2 Anticancer agents; asthma; rhintis; vision disorders; skin disorders; antiarthritic agents; antiinflammatory agents; antiallergens AVENTIS PHARMACEUTICALS INC. (US) 2007-08-21 US disclosed
US-7259154-B2 Anticancer agents; asthma; rhintis; vision disorders; skin disorders; antiarthritic agents; antiinflammatory agents; antiallergens AVENTIS PHARMACEUTICALS INC. (US) 2007-08-21 US disclosed
US-7259154-B2 Anticancer agents; asthma; rhintis; vision disorders; skin disorders; antiarthritic agents; antiinflammatory agents; antiallergens AVENTIS PHARMACEUTICALS INC. (US) 2007-08-21 US 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-20040142947-A1 Pyrrolopyrimidines AVENTIS PHARMACEUTICALS, INC. 2004-07-22 US disclosed
EP-1404676-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-04-07 EP 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-2003000695-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-01-03 WO disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
WO-2003000690-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS EMPLOYING MICROWAVE TECHNOLOGY AVENTIS PHARMACEUTICALS INC. (US) 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 (3 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 AKR1C3 1503/4885HTR6 2043/4885L3MBTL1 4557/4885
US-20040142947-A1 Pyrrolopyrimidines DPYD, TYMP, PNPO AKR1C3 399/4885HTR6 4717/4885L3MBTL1 3350/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 AKR1C3 1785/4885HTR6 1744/4885L3MBTL1 4695/4885

“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.