SCHEMBL4288701

SCHEMBL4288701

CCOC(=O)CC(Cl)(Cl)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
EGLN1 Q9GZT9 1/20 0.38
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL10723443 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL148782 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL181945 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5864262 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
Methylene Chloride SCHEMBL3176439 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7841654 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1339430 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2706813 0.76 ALDH1A1 (0.45) ALDH1A1EGLN1LMNAHMGCRCHRM1
SCHEMBL8820595 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17305098 0.75 HMGCR (0.62) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849086-B Hydrophily chain junctor and its application on drug molecule and cell-binding molecules conjugation reaction 杭州多禧生物科技有限公司 2018-07-31 CN disclosed
CN-105849086-A Hydrophilic linkers and their uses for conjugation of drugs to cell binding molecules 杭州多禧生物科技有限公司 2016-08-10 CN disclosed
US-8344115-B2 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2013-01-01 US disclosed
WO-2009131643-A1 IMMUNOASSAY FOR SPECIFIC DETERMINATION OF S-ADENOSYMETHIONINE AND ANALOGS THEREOF IN BIOLOGICAL SAMPLES MONABIO, INC. (US) 2009-10-29 WO disclosed
US-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples HAO, XIUJUAN 2009-10-22 US disclosed
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7101895-B2 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-09-05 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2004-06-24 US disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
EP-0577210-A1 A method of preparing a magenta development inhibitor releasing coupler EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
US-5270301-A Fluoro-amide derivatives ICI AMERICAS INC. (US) 1993-12-14 US disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
EP-0540118-A1 Photographic material and process EASTMAN KODAK COMPANY (US) 1993-05-05 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0399688-A1 Trifluoroketopeptide derivatives useful as human leukocyte elastase inhibitors ZENECA INC. (US) 1990-11-28 EP disclosed
EP-0397427-A1 Fluoro-amide derivatives having human leucocyte elastase inhibiting activity ZENECA INC. (US) 1990-11-14 EP disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP 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 (3 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-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors BACE1, BACE2, APP GAA 194/4885MGAM 2822/4885SI 196/4885
US-20090263879-A1 Immunoassay for specific determination of S-adenosylmethionine and analogs thereof in biological samples AHCY, MAT2A, MAT1A GAA 1019/4885MGAM 426/4885SI 165/4885
US-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 GAA 2694/4885MGAM 214/4885SI 43/4885

“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.