SCHEMBL3754398

SCHEMBL3754398

CC(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL15682609 0.87 ALDH1A1 (0.49) ALDH1A1TSHRHPGD
SCHEMBL5185195 0.85 ALDH1A1 (0.50) ALDH1A1TSHRHPGDPOLBCYP2C19
SCHEMBL10482069 0.81 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL2398421 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGD
SCHEMBL3263548 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHPGDPOLBCYP2C19
SCHEMBL28613032 0.80 ALDH1A1 (0.60) ALDH1A1TSHRHPGD
SCHEMBL8250667 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGD
SCHEMBL31628174 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGD
SCHEMBL9826058 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHPGD
SCHEMBL2287025 0.78 ALDH1A1 (0.53) ALDH1A1TSHRHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-20080058389-A1 Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (2 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-20080058389-A1 Carboxamides CBR3, CBR1, H1-10 ALDH1A1 1944/4885TSHR 464/4885HPGD 3403/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885TSHR 1602/4885HPGD 1529/4885

“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.