SCHEMBL3816299

SCHEMBL3816299

CS(=O)(=O)c1sc(C(=O)O)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
NOTUM Q6P988 5/20 0.39
DAO P14920 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL5405012 0.86 LMNA (0.41) ALDH1A1LMNAMAPK1GRIA2GRIA4
SCHEMBL7355108 0.84 NOTUM (0.34) ALDH1A1LMNAMAPK1KEAP1NFE2L2
SCHEMBL740930 0.80 NR1H2 (0.38) ALDH1A1LMNAMAPK1GRIA2GRIA4
SCHEMBL2680797 0.79 KDM4E (0.45) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL7248344 0.75 DAO (0.57) ALDH1A1KEAP1NFE2L2NOTUMDAO
SCHEMBL3817485 0.75 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1GRIA2GRIA4
SCHEMBL6970010 0.74 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1KEAP1NFE2L2
SCHEMBL3605972 0.73 NOTUM (0.43) ALDH1A1KEAP1NFE2L2NOTUMDAO
SCHEMBL13686294 0.72 USP7 (0.35) ALDH1A1LMNAGRIA2GRIA4KDM4E
SCHEMBL5405617 0.71 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1KEAP1NFE2L2

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
EP-1858898-B1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA SA (FR) 2009-08-26 EP disclosed
EP-1858898-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2007-11-28 EP disclosed
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
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 WO 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 ALDH1A1 376/4885LMNA 4160/4885MAPK1 549/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 ALDH1A1 428/4885LMNA 3860/4885MAPK1 697/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 ALDH1A1 376/4885LMNA 4160/4885MAPK1 549/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 ALDH1A1 376/4885LMNA 4160/4885MAPK1 549/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 ALDH1A1 428/4885LMNA 3860/4885MAPK1 697/4885

“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.