SCHEMBL2886091

SCHEMBL2886091

Cc1ccc(S(=O)(=O)Oc2c[c]ccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.42
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 1/20 0.40
ENPP2 Q13822 1/20 0.40
VDR P11473 1/20 0.40

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
SCHEMBL4600112 0.85 TDP1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL10593672 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL2881517 0.80 MEN1 (0.49) MEN1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL346667 0.79 HTT (0.59) MEN1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL6668957 0.78 L3MBTL1 (0.50) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL29261850 0.78 HTT (0.58) MEN1KMT2AKEAP1NFE2L2ALDH1A1
Iodide SCHEMBL3347426 0.78 HTT (0.58) MEN1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL4126086 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL18179825 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9852204 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
US-20060019940-A1 Novel benzoxazocines and their therapeutic use SOSEI R&D LTD. (GB) 2006-01-26 US disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 WO disclosed
EP-1140515-B1 HEAT SENSITIVE RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2004-09-15 EP disclosed
US-6624117-B1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (2 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-20060019940-A1 Novel benzoxazocines and their therapeutic use HTR4, OPRM1, GRM4 MEN1 1576/4885KMT2A 1143/4885KEAP1 1238/4885
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 MEN1 3387/4885KMT2A 3750/4885KEAP1 3135/4885

“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.