SCHEMBL1276832

SCHEMBL1276832

COCC(COc1nc(N2CCCCC2)c2nc(OCC(COC)OC)nc(N3CCCCC3)c2n1)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 0.61
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCC5 O15440 1/20 0.38
▸ PDE6D O43924 1/20 0.38
▸ PDE8A O60658 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ HSP90AA1 P07900 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
SCHEMBL7971739 0.81 SLC29A1 (0.60) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7949410 0.77 SLC29A1 (0.63) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7976583 0.76 SLC29A1 (0.71) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7970119 0.76 SLC29A1 (0.66) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7948817 0.75 SLC29A1 (0.57) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7971382 0.73 HTT (0.60) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7947717 0.70 SLC29A1 (0.86) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7960351 0.70 SLC29A1 (0.61) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7953158 0.69 SLC29A1 (0.74) SLC29A1LMNAMEN1KMT2AATM
SCHEMBL7973587 0.69 SLC29A1 (0.53) SLC29A1LMNAMEN1KMT2AATM

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 — — EP claimed
EP-2279742-A2 Combinations for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-02-02 — — EP claimed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 — — EP claimed
US-20090005358-A1 Compositions and methods for treating medical conditions LG CHEM, LTD. (KR) 2009-01-01 — — US claimed
WO-2009002507-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-12-31 — — WO claimed
EP-1999626-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MUSCULOSKELETAL DISORDERS AND SYMPTOMS ASSOCIATED THEREWITH CombinatoRx, Incorporated (US) 2008-12-10 — — EP claimed
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels COMBINATORX, INCORPORATED 2008-01-31 — — US claimed
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels COMBINATORX, INC. 2008-01-03 — — US claimed
EP-1680121-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2007-12-26 — — EP claimed
WO-2007146012-A1 TREATMENT OF PERIODONTAL DISEASE ASSOCIATED WITH INCREASED C-REACTIVE PROTEIN LEVELS COMBINATORX, INCORPORATED (US) 2007-12-21 — — WO claimed
WO-2007089617-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MUSCULOSKELETAL DISORDERS AND SYMPTOMS ASSOCIATED THEREWITH COMBINATORX, INCORPORATED (US) 2007-08-09 — — WO claimed
JP-2007508391-A — — 2007-04-05 — — JP claimed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 — — US claimed
EP-1448205-A4 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2007-01-03 — — EP claimed
EP-1680121-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS CombinatoRx, Incorporated (US) 2006-07-19 — — EP claimed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 — — US claimed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 — — WO claimed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 — — EP claimed
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders ZALICUS INC. 2003-06-26 — — US claimed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20090005358-A1 Compositions and methods for treating medical conditions ITCH, TSLP, P2RX5 SLC29A1 2433/4885LMNA 3341/4885MEN1 2256/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC29A1 1552/4885LMNA 3888/4885MEN1 4127/4885
US-20080025965-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein levels TYMP, TTR, TPMT SLC29A1 908/4885LMNA 3002/4885MEN1 4803/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT SLC29A1 1069/4885LMNA 4264/4885MEN1 3092/4885
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels IFNG, IL6, IL36G SLC29A1 871/4885LMNA 4193/4885MEN1 4823/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC29A1 1552/4885LMNA 3888/4885MEN1 4127/4885

“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.

Send feedback