SCHEMBL5035917

SCHEMBL5035917

Cc1ccc(S(=O)(=O)NC(C)(C)CO)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 4/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 11/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
THRB P10828 1/20 0.50
MAPT P10636 3/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCR2 P41597 1/20 0.49
GAA P10253 2/20 0.48
GFER P55789 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL5035886 0.85 THRB (0.64) KDM4EALDH1A1L3MBTL1THRB
SCHEMBL773215 0.84 ALDH1A1 (0.57) MAPK1KDM4EPOLBTDP1ALDH1A1
SCHEMBL14675998 0.81 THRB (0.56) MAPK1KDM4EPOLBTDP1ALDH1A1
SCHEMBL5034910 0.79 KDM4E (0.56) KDM4EALDH1A1HTTL3MBTL1MAPT
SCHEMBL6417364 0.79 CA2 (0.56) KDM4ETDP1ALDH1A1L3MBTL1MEN1
SCHEMBL18739951 0.78 CA2 (0.61) KDM4EALDH1A1HTTL3MBTL1GAA
SCHEMBL17708450 0.78 CA1 (0.62) MAPK1KDM4EPOLBTDP1ALDH1A1
SCHEMBL12067854 0.76 VCAM1 (0.69) MAPK1KDM4EPOLBTDP1ALDH1A1
SCHEMBL30079501 0.76 CA1 (0.60) TDP1ALDH1A1L3MBTL1THRBPKM
SCHEMBL5035106 0.76 MAPK1 (0.53) MAPK1KDM4EPOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528876-C Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1964973-A Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-16 CN disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 MAPK1 1732/4885KDM4E 3638/4885POLB 2158/4885

“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.