SCHEMBL3380558

SCHEMBL3380558

C#CC1(C)OC(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
PGR P06401 6/20 0.44
AKR1B1 P15121 2/20 0.44
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL4841848 0.81 PGR (0.62) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL3382295 0.79 PGR (0.43) PGR
SCHEMBL4845321 0.77 PGR (0.57) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL3381414 0.75 PDK2 (0.44) PGRAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL4842377 0.73 PGR (0.49) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL31251189 0.70 PGR (0.71) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL1841727 0.70 PGR (0.71) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL9539832 0.69 AKR1B1 (0.51) ALPLPGRAKR1B1CAPN9CASP3
SCHEMBL3877014 0.68 PGR (0.76) PGR
SCHEMBL11440857 0.68 AKR1B1 (0.53) ALPLPGRAKR1B1CAPN9CASP3

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 ALPL 4485/4885PGR 288/4885AKR1B1 31/4885

“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.