SCHEMBL5567796

SCHEMBL5567796

COC(=O)CCc1ccc(CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
F2RL1 P55085 1/20 0.49
IDO1 P14902 1/20 0.47
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL22922181 0.90 CYP4F2 (0.59) ADRB2ADRB1CYP4F2CYP4A11F2RL1
SCHEMBL7718832 0.89 TSHR (0.48) CYP4F2CYP4A11POLBEPHX2ALDH1A1
SCHEMBL1745397 0.87 FFAR1 (0.58) ADRB2ADRB1F2RL1POLBALDH1A1
SCHEMBL9237286 0.85 SMN1; SMN2 (0.54) POLBEPHX2ALDH1A1LMNAMAPT
SCHEMBL197699 0.85 CYP11B1 (0.58) ADRB2ADRB1CYP4F2CYP4A11F2RL1
SCHEMBL1410420 0.82 CYP4A11 (0.56) ADRB2ADRB1CYP4F2CYP4A11F2RL1
SCHEMBL2569441 0.82 L3MBTL1 (0.55) ADRB2ADRB1CYP4F2CYP4A11F2RL1
SCHEMBL8508610 0.82 CYP4F2 (0.53) ADRB2ADRB1CYP4F2CYP4A11F2RL1
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL95254 0.82 HDAC2 (0.53) ADRB2ADRB1CYP4F2CYP4A11F2RL1
SCHEMBL3679325 0.82 CYP4A11 (0.72) ADRB2ADRB1CYP4F2CYP4A11F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349051-A Preparation method of methyl 2-(4-chloromethylphenyl)propionate 宁波博撷化学科技有限公司 2017-01-25 CN disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 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 (1 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 ADRB2 184/4885ADRB1 77/4885CYP4F2 1659/4885

“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.