SCHEMBL4004972

SCHEMBL4004972

COc1ccc(S(=O)(=O)NCC2CCC(CNC(=O)NCc3ccc(C)cc3)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ATM Q13315 1/20 0.55
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
CYP2C9 P11712 1/20 0.50
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 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
SCHEMBL4012779 0.88 KMT2A (0.67) MEN1KMT2AALDH1A1LMNACYP2C9
SCHEMBL4008674 0.82 MAPT (0.66) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL4008992 0.82 MAPK1 (0.64) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL4008982 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4005992 0.82 KMT2A (0.53) MEN1KMT2AALDH1A1LMNACYP2C9
SCHEMBL3851498 0.76 KMT2A (0.86) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL13850376 0.75 MAPK1 (0.62) MEN1KMT2AATMALDH1A1CYP2C9
SCHEMBL28003775 0.73 SMN1; SMN2 (0.74) ATMALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4009437 0.73 THRB (0.68) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL4006225 0.72 MAPT (0.79) MEN1KMT2AALDH1A1LMNACYP2C9

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 MEN1 4443/4885KMT2A 1754/4885ATM 700/4885

“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.