SCHEMBL6399740

SCHEMBL6399740

Cc1ccc([C@@H](CS(=O)(=O)Cc2ccc3sc(F)cc3c2)N(O)C=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
GRK5 P34947 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
MAP2K1 Q02750 1/20 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
SCHEMBL6400357 1.00 CHEK1 (0.34) CHEK1AURKANTRK1METPIM1
SCHEMBL6403900 0.90 MMP2 (0.40) CHEK1AURKANTRK1METPIM1
SCHEMBL6399506 0.90 MMP2 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6406333 0.90 MMP2 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6400972 0.78 CA12 (0.35) CHEK1AURKANTRK1METPIM1
SCHEMBL6399624 0.74 CA2 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6399628 0.74 CA2 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6399715 0.73 MMP2 (0.39) CHEK1AURKANTRK1METPIM1
SCHEMBL6400319 0.73 MMP2 (0.39) CHEK1AURKANTRK1METPIM1
SCHEMBL6397621 0.73 CHEK1 (0.35) CHEK1AURKANTRK1METPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
CN-110236198-B Oral emulsion rich in Omega-3 unsaturated fatty acid and preparation method thereof 宁波仙健海嘉生物科技有限公司 2024-02-09 CN disclosed
CN-108048353-A The Lactobacillus reuteri HI120 of one Expression of Plant Height linoleate isomerase LAI and its application 广州维生君生物科技有限公司 2018-05-18 CN disclosed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050282781-A1 Compositions of stable bioactive metabolites of docosahexaenoic (DHA) and eicosapentaenoic (EPA) acids NATREON INC. 2005-12-22 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-0780124-B1 Pharmaceutical composition comprising an alkanoyl L-carnitine in combination with a polyunsaturated fatty acid of the omega-3 series for the prevention and the treatment of lipid metabolism disorders SIGMA TAU HEALTHSCIENCE SPA (IT) 2001-12-19 EP disclosed
EP-0780124-A1 Pharmaceutical composition comprising L-carnitine or an alkanoyl L-carnitine in combination with a polyunsaturated fatty acid of the omega-3 series for the prevention and the treatment of lipid metabolism disorders Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1997-06-25 EP disclosed
EP-0374188-B1 DIETARY SUPPLEMENT UTILIZING OMEGA-3/MEDIUM CHAIN TRIGLYCERIDE MIXTURES NEW ENGLAND DEACONESS HOSPITAL (US) 1993-11-03 EP disclosed
EP-0188573-B1 DIETARY SUPPLEMENT FOR MINIMIZING EFFECTS OF INFECTION Mascioli, Edward A. (US) 1992-03-18 EP disclosed
EP-0374188-A4 DIETARY SUPPLEMENT UTILIZING OMEGA-3/MEDIUM CHAIN TRIGLYCERIDE MIXTURES 1990-09-26 EP disclosed
EP-0374188-A1 DIETARY SUPPLEMENT UTILIZING OMEGA-3/MEDIUM CHAIN TRIGLYCERIDE MIXTURES. NEW ENGLAND DEACONESS HOSPITAL (US) 1990-06-27 EP disclosed
WO-1989002275-A1 DIETARY SUPPLEMENT UTILIZING OMEGA-3/MEDIUM CHAIN TRIGLYCERIDE MIXTURES NEW ENGLAND DEACONESS HOSPITAL CORPORATION (US) 1989-03-23 WO disclosed
EP-0188573-A4 DIETARY SUPPLEMENT FOR MINIMIZING EFFECTS OF INFECTION. NEW ENGLAND DEACONESS HOSPITAL (US) 1987-03-30 EP disclosed
EP-0188573-A1 DIETARY SUPPLEMENT FOR MINIMIZING EFFECTS OF INFECTION. NEW ENGLAND DEACONESS HOSPITAL (US) 1986-07-30 EP disclosed
WO-1986000523-A1 DIETARY SUPPLEMENT AND METHOD OF MINIMIZING EFFECTS OF INFECTION THROUGH DIET NEW ENGLAND DEACONESS HOSPITAL (US) 1986-01-30 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 (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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CHEK1 2235/4885AURKA 4645/4885NTRK1 870/4885
US-20050282781-A1 Compositions of stable bioactive metabolites of docosahexaenoic (DHA) and eicosapentaenoic (EPA) acids ALOX15, ALOX12, BDKRB2 CHEK1 915/4885AURKA 2414/4885NTRK1 2399/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CHEK1 2576/4885AURKA 4704/4885NTRK1 1307/4885

“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.