SCHEMBL2095112

SCHEMBL2095112

[O]c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
CYP2C19 P33261 1/20 0.67
PTGS2 P35354 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HIF1A Q16665 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
MAOB P27338 4/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
MAOA P21397 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
NR4A1 P22736 1/20 0.63
NR4A2 P43354 1/20 0.63
NR4A3 Q92570 1/20 0.63
BCHE P06276 1/20 0.60

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
SCHEMBL339813 0.89 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7830850 0.88 CA12 (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9797450 0.86 TSHR (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.84 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.84 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9808056 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5538712 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL197017 0.82 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL23235842 0.81 LMNA (0.71) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL9549322 0.81 LMNA (0.71) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor BARTA THOMAS E 2006-04-20 US claimed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US claimed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US claimed
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-03-11 US claimed
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2002-11-28 US claimed
JP-2002537378-A 2002-11-05 JP claimed
EP-1230219-A1 AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. Searle & Co. (US) 2002-08-14 EP claimed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US claimed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US claimed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO claimed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO claimed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP claimed
EP-3022206-B1 EPHA4 INHIBITORS AS NEUROPROTECTIVE AGENTS UNIV HONG KONG SCIENCE & TECH (HK) 2023-07-12 EP disclosed
CN-105037208-B A kind of N (the substitution ethyl of 1 methyl 2) valine amide carbamate derivatives and application 南开大学 2017-06-06 CN disclosed
US-9629830-B2 EphA4 inhibitors as neuroprotective agents THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 US disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 EP disclosed
US-4172150-A CARDIOSELECTIVE ADRENERGIC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-23 US disclosed
US-4143140-A CARDIO-SELECTIVE B-ADRENERGIC STIMULANT; 1-HYDROXYPHENOXY-3-UREIDOETHYLAMINO-2-PROPANOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-06 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-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP10 LMNA 2530/4885CYP1A2 674/4885PTGS1 257/4885
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP3 LMNA 4070/4885CYP1A2 328/4885PTGS1 135/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 LMNA 2530/4885CYP1A2 674/4885PTGS1 257/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 LMNA 3993/4885CYP1A2 337/4885PTGS1 94/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 LMNA 2530/4885CYP1A2 674/4885PTGS1 257/4885

“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.