SCHEMBL15528517

SCHEMBL15528517

Cc1ccc(S(=O)(=O)O)cc1CC(C)(CO)n1cc([N+](=O)[O-])c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL15528514 1.00 MCOLN3 (0.34) MCOLN3CRHBPCRHR2PIK3CDPIK3CA
SCHEMBL15528397 0.78 ALDH1A1 (0.35) ALDH1A1KMT2AL3MBTL1MAPTPOLB
SCHEMBL15528516 0.73 LMNA (0.36) ALDH1A1TDP1MAPTSMN1; SMN2HTT
SCHEMBL20555297 0.71 LRRK2 (0.36) ALDH1A1L3MBTL1MAPTPOLBMAPK1
SCHEMBL658698 0.69 ALDH1A1 (0.38) ALDH1A1TDP1HPGDMEN1KMT2A
SCHEMBL25173938 0.67 L3MBTL1 (0.36) ALDH1A1HPGDL3MBTL1MAPTPOLB
SCHEMBL20555353 0.67 GPR35 (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL731102 0.66 MCOLN3 (0.60) MCOLN3CRHBPCRHR2ALDH1A1TDP1
SCHEMBL215722 0.66 MEN1 (0.47) ALDH1A1TDP1HPGDMEN1KMT2A
SCHEMBL283959 0.66 MEN1 (0.47) ALDH1A1TDP1HPGDMEN1KMT2A

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
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844652-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
WO-2013164321-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 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-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 MCOLN3 1221/4885CRHBP 3051/4885CRHR2 3260/4885

“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.