SCHEMBL5400975

SCHEMBL5400975

CS(=O)(=O)c1cccc(C(=O)N2CCC(=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.51
HRH1 P35367 2/20 0.48
CCR3 P51677 2/20 0.48
SLC9A1 P19634 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL13800995 0.87 TSHR (0.65) TSHRGAAKMT2A
SCHEMBL12157463 0.83 TSHR (0.73) TSHRRECQLKMT2AALDH1A1
Ethylene SCHEMBL8376514 0.79 LMNA (0.54)
SCHEMBL14538230 0.79 HPGD (0.71) ALDH1A1
SCHEMBL16002987 0.79 HRH1 (0.53) TSHRRECQLGAAHRH1CCR3
SCHEMBL13438736 0.78 HPGD (0.54) KMT2AALDH1A1
SCHEMBL22206744 0.77 SLC9A1 (0.52) TSHRRECQLGAAHRH1CCR3
SCHEMBL16000494 0.77 HRH1 (0.51) TSHRGAAHRH1CCR3SLC9A1
SCHEMBL13022078 0.77 GPR183 (0.54) TSHRALDH1A1
Ethylene SCHEMBL8380939 0.77 HPGD (0.68)

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
CN-1244576-C Compound (I) ASTRAZENECA AB (SE) 2006-03-08 CN disclosed
CN-1660839-A Chemical compounds ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US disclosed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US disclosed
CN-1433411-A Compound (I) ASTRAZENECA AB (SE) 2003-07-30 CN disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 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 (5 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-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 TSHR 3436/4885RECQL 3757/4885GAA 2997/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 TSHR 3393/4885RECQL 3264/4885GAA 2837/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 TSHR 3436/4885RECQL 3757/4885GAA 2997/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 TSHR 3436/4885RECQL 3757/4885GAA 2997/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 TSHR 3393/4885RECQL 3264/4885GAA 2837/4885

“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.