SCHEMBL5405093

SCHEMBL5405093

CS(=O)(=O)c1cc(C#N)cc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
VNN1 O95497 1/20 0.40
CYP1A2 P05177 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
LMNA P02545 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL18503821 0.81 LCK (0.58) LCKFYNCYP1A2LMNAAKR1C3
SCHEMBL3185974 0.81 LCK (0.64) LCKFYNCYP1A2LMNA
SCHEMBL2511327 0.79 MRGPRX4 (0.45) LCKFYNMRGPRX4LMNAPLA2G2A
SCHEMBL2170685 0.79 MRGPRX4 (0.49) MRGPRX4LMNAPLA2G2A
Hydrochloric Acid SCHEMBL9436647 0.77 SLC9A1 (0.42)
SCHEMBL26146696 0.76 LCK (0.41) LCKFYNVNN1CYP1A2PTGS2
SCHEMBL26146699 0.76 LCK (0.41) LCKFYNCYP1A2LMNA
Hydrochloric Acid SCHEMBL9040784 0.75 VNN1 (0.36) VNN1SIRT2LMNA
SCHEMBL2160802 0.74 TPMT (0.61) MRGPRX4LMNAPLA2G2A
SCHEMBL5619666 0.74 CA12 (0.58) LCKFYNCYP1A2PTGS2LMNA

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 17 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
EP-0556674-B1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AG (DE) 1996-06-19 EP disclosed
US-5373024-A 3,5-Substituted benzoylguanidines, process for their preparation, their use as a medicament of diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-13 US disclosed
EP-0556674-A1 3,5-substituted benzoylguanidines with antiarrhythmic activity and cell proliferation inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 US 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 LCK 447/4885FYN 2286/4885VNN1 3146/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 LCK 427/4885FYN 2186/4885VNN1 3193/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 LCK 447/4885FYN 2286/4885VNN1 3146/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 LCK 447/4885FYN 2286/4885VNN1 3146/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 LCK 427/4885FYN 2186/4885VNN1 3193/4885

“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.