SCHEMBL3379366

SCHEMBL3379366

CC1=CC(C)(C)N(C(=O)O)c2ccc(C(C)S(=O)(=O)c3ccc(C)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CRHBP P24387 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL3377907 0.86 NPSR1 (0.43) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3382300 0.77 NPSR1 (0.49) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8849812 0.72 LMNA (0.56) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3381590 0.71 ALDH1A1 (0.59) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3379896 0.71 KMT2A (0.54) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3380924 0.69 KMT2A (0.52) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3380584 0.69 KMT2A (0.52) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9144329 0.69 LMNA (0.37) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16749661 0.67 ELANE (0.54) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL16217100 0.65 NPSR1 (1.00) NPSR1KMT2AMEN1CYP1A2CYP3A4

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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 NPSR1 64/4885KMT2A 2770/4885MEN1 2674/4885

“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.