SCHEMBL4008982

SCHEMBL4008982

COc1ccc(S(=O)(=O)NCC2CCC(CNC(=O)NCCc3ccccc3)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.54
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ACACB O00763 1/20 0.48
TRPM5 Q9NZQ8 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL4006225 0.84 MAPT (0.79) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL4004972 0.82 MEN1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4008992 0.81 MAPK1 (0.64) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL4009611 0.81 MEN1 (0.57) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL7416728 0.79 HTT (0.76) ALDH1A1MEN1POLBKMT2ALMNA
SCHEMBL13850376 0.74 MAPK1 (0.62) ALDH1A1MEN1KMT2AADRA1AADRA1B
SCHEMBL7415584 0.74 SMN1; SMN2 (0.78) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL4008674 0.73 MAPT (0.66) ALDH1A1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7272730 0.71 SLC2A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17117338 0.71 PLAAT3 (0.74) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 ALDH1A1 169/4885MAPT 2312/4885MEN1 4443/4885

“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.