Sugi Predict

Sugi Predict / Compounds / SCHEMBL5543735

SCHEMBL5543735

SCHEMBL5543735

[CH2]c1ccc(C(=O)N(CC)CC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ MAPT P10636 2/20 0.61
▸ MLYCD O95822 2/20 0.59
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HSP90AA1 P07900 5/20 0.53
▸ HSP90AB1 P08238 5/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ GAA P10253 1/20 0.47

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
SCHEMBL5703500 0.89 HPGD (0.73) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL5543209 0.84 MLYCD (0.62) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL3757670 0.84 HPGD (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2967396 0.82 MLYCD (0.63) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2960979 0.82 USP2 (0.58) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL95412 0.82 HDAC1 (0.52) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL2531849 0.82 HDAC4 (0.46) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL97482 0.81 EGFR (0.60) HPGDALDH1A1MLYCDGAA
SCHEMBL1806308 0.81 HPGD (0.63) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL6802252 0.81 HPGD (0.69) HPGDALDH1A1MAPTMLYCDLMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 — — US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
EP-2838927-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-25 — — EP disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 — — US disclosed
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 — — US disclosed
EP-2678311-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-01 — — EP disclosed
WO-2013156509-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2013-10-24 — — WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 — — WO disclosed
US-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS PHARMACEUTICALS, INC. 2005-08-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-6852878-B2 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS, INC. (US) 2005-02-08 — — US disclosed
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 — — US disclosed
US-6818638-B2 LACTONE RING IS MODIFIED; PREVENTING OR TREATING DISORDERS MEDIATED BY LFA-1/ ICAM-1 INTERACTIONS. NOVARTIS AG (CH) 2004-11-16 — — US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 — — US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 — — EP disclosed
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-02-07 — — US disclosed
EP-1154988-A1 MEVINOLIN DERIVATIVES Novartis AG (CH) 2001-11-21 — — EP disclosed
WO-2000048989-A1 MEVINOLIN DERIVATIVES NOVARTIS AG (CH) 2000-08-24 — — 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 (4 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-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 HPGD 1884/4885ALDH1A1 112/4885MAPT 1234/4885
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA HPGD 2808/4885ALDH1A1 573/4885MAPT 4477/4885
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 HPGD 1884/4885ALDH1A1 112/4885MAPT 1234/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 HPGD 1448/4885ALDH1A1 518/4885MAPT 4486/4885

“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.