SCHEMBL6417364

SCHEMBL6417364

CC(C)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.56
CA12 O43570 4/20 0.56
CA9 Q16790 4/20 0.56
CA1 P00915 3/20 0.56
CA14 Q9ULX7 3/20 0.56
MMP2 P08253 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA13 Q8N1Q1 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
MMP1 P03956 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL18739951 0.84 CA2 (0.61) CA2CA12CA9CA1MMP2
SCHEMBL3046201 0.82 CA2 (0.65) CA2CA12CA9CA1CA14
SCHEMBL20789306 0.80 TBXA2R (0.43) CA2CA12CA9CA1CA14
SCHEMBL29539082 0.80 TBXA2R (0.43) CA2CA12CA9CA1CA14
SCHEMBL10282879 0.80 ALDH1A1 (0.56) CA2CA1MMP2MMP1MMP9
SCHEMBL10777994 0.80 CA2 (0.50) CA2CA12CA9CA1CA14
SCHEMBL30079307 0.79 TSHR (0.63) CA2CA12CA9CA1CA14
SCHEMBL3411592 0.79 KDM4E (0.55) CA2CA12CA9CA1CA14
SCHEMBL5035917 0.79 MAPK1 (0.55) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1479993 0.78 ALDH1A1 (0.56) CA2CA1MMP2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 US disclosed
EP-1465872-A1 4-SULFIDE/SULFOXIDE/SULFONYL-1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR Bayer Pharmaceuticals Corporation (US) 2004-10-13 EP disclosed
WO-2003057674-A1 4-SULFIDE / SULFOXIDE / SULFONYL-1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 WO 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B CA2 4063/4885CA12 4385/4885CA9 4787/4885

“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.