SCHEMBL5416488

SCHEMBL5416488

O=C(O)c1cccc(S(=O)(=O)CC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.51
MAPT P10636 1/20 0.50
IL1RN P18510 1/20 0.50
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
AKR1C1 Q04828 1/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MEP1B Q16820 2/20 0.47
APEX1 P27695 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20590862 0.82 JMJD6 (0.44) MAPTALDH1A1LMNAKMT2A
SCHEMBL16799946 0.79 AKR1B1 (0.42) MAPTCYP2C19ALDH1A1KMT2A
SCHEMBL29650200 0.79 HTR6 (0.43) MAPTALDH1A1CA2
SCHEMBL19692897 0.79 HTR6 (0.43) MAPTALDH1A1CA2
SCHEMBL35184 0.78 CYP2C19 (0.55) AKR1C3MAPTIL1RNCYP2C19ALDH1A1
SCHEMBL29453097 0.78 CYP2C19 (0.55) AKR1C3MAPTIL1RNCYP2C19ALDH1A1
SCHEMBL1710551 0.77 ALDH1A1 (0.45) ALDH1A1LMNACA1CA2MEN1
SCHEMBL4416606 0.77 ALDH1A1 (0.56) AKR1C3MAPTIL1RNCYP2C19ALDH1A1
SCHEMBL29245371 0.77 F2 (0.57) AKR1C3MAPTIL1RNCYP2C19ALDH1A1
SCHEMBL19071740 0.77 CYP2C19 (0.54) AKR1C3MAPTIL1RNCYP2C19ALDH1A1

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 13 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
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
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 AKR1C3 269/4885MAPT 2039/4885IL1RN 69/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 AKR1C3 212/4885MAPT 2117/4885IL1RN 86/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 AKR1C3 269/4885MAPT 2039/4885IL1RN 69/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 AKR1C3 269/4885MAPT 2039/4885IL1RN 69/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 AKR1C3 212/4885MAPT 2117/4885IL1RN 86/4885

“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.