SCHEMBL4390035

SCHEMBL4390035

CC(C)c1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNC(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 4/20 0.60
CYP2C9 P11712 1/20 0.60
GBA1 P04062 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
NPY5R Q15761 1/20 0.50
HPGD P15428 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACACB O00763 1/20 0.48

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
SCHEMBL4390037 1.00 KMT2A (0.60) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4007108 0.84 GBA1 (0.56) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL13590685 0.83 ACACB (0.70) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL7698803 0.82 KMT2A (0.62) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4400809 0.82 GBA1 (0.66) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4400806 0.82 GBA1 (0.66) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4397778 0.81 MEN1 (0.68) KMT2AALDH1A1MEN1CYP2C9POLB
SCHEMBL4397776 0.81 MEN1 (0.68) KMT2AALDH1A1MEN1CYP2C9POLB
SCHEMBL7698607 0.80 KMT2A (0.58) KMT2AALDH1A1MEN1CYP2C9POLB
SCHEMBL4396124 0.80 PDK1 (0.54) KMT2AALDH1A1MEN1CYP2C9GBA1

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 KMT2A 1754/4885ALDH1A1 169/4885MEN1 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.