SCHEMBL4397776

SCHEMBL4397776

CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNC(=O)O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
LMNA P02545 4/20 0.66
TP53 P04637 3/20 0.66
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
THRB P10828 1/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.56

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
SCHEMBL4397778 1.00 MEN1 (0.68) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL13590694 0.84 ACACB (0.66) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL4390037 0.81 KMT2A (0.60) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL4390035 0.81 KMT2A (0.60) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL4400806 0.81 GBA1 (0.66) MEN1KMT2ASMN1; SMN2THRBALDH1A1
SCHEMBL4400809 0.81 GBA1 (0.66) MEN1KMT2ASMN1; SMN2THRBALDH1A1
SCHEMBL16054998 0.77 NAMPT (0.58) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL14419600 0.76 CCR8 (0.61) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL4396117 0.76 PDK1 (0.54) MEN1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL4396124 0.76 PDK1 (0.54) MEN1KMT2ASMN1; SMN2LMNATHRB

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 MEN1 4443/4885KMT2A 1754/4885SMN1; SMN2 4702/4885

“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.