SCHEMBL4400809

SCHEMBL4400809

O=C(O)NCC1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.66
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP2C9 P11712 1/20 0.59
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.55
MMP1 P03956 2/20 0.55
MMP12 P39900 2/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.52
NPY5R Q15761 1/20 0.52
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
ADAM17 P78536 1/20 0.51

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
SCHEMBL4400806 1.00 GBA1 (0.66) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4388429 0.88 GBA1 (0.61) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4388425 0.88 GBA1 (0.61) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL13590684 0.83 ACACB (0.74) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4007525 0.83 HDAC3 (0.71) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4007519 0.83 HDAC3 (0.71) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4390035 0.82 KMT2A (0.60) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4390037 0.82 KMT2A (0.60) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL2470122 0.81 GBA1 (1.00) GBA1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4397778 0.81 MEN1 (0.68) KMT2AMEN1ALDH1A1CYP2C9MAPT

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 2 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
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

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 GBA1 2515/4885KMT2A 1754/4885MEN1 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.