SCHEMBL2084435

SCHEMBL2084435

COC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1C(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.48
MMP3 P08254 3/20 0.48
PTPN1 P18031 1/20 0.45
AGTR2 P50052 1/20 0.43
MAPT P10636 2/20 0.43
PNMT P11086 6/20 0.42
ADRA2A P08913 2/20 0.42
DRD2 P14416 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL2084434 1.00 MMP8 (0.48) MMP8MMP3PTPN1AGTR2MAPT
SCHEMBL6392086 0.85 PTPN1 (0.63) MMP8MMP3PTPN1AGTR2MAPT
SCHEMBL8248218 0.83 PNMT (0.46) MMP8MMP3PNMTADRA2AADRA2B
SCHEMBL7511373 0.83 MMP8 (0.48) MMP8MMP3PTPN1AGTR2MAPT
SCHEMBL2084392 0.82 PTPN1 (0.48) MMP8MMP3PTPN1AGTR2PDE4B
SCHEMBL2084395 0.82 PTPN1 (0.48) MMP8MMP3PTPN1AGTR2PDE4B
Hydrochloric Acid SCHEMBL2083230 0.81 PTPN1 (0.47) MMP8MMP3PTPN1AGTR2PDE4B
Hydrochloric Acid SCHEMBL2083227 0.81 PTPN1 (0.47) MMP8MMP3PTPN1AGTR2PDE4B
SCHEMBL6390617 0.73 PTPN1 (0.49) MMP8MMP3PTPN1MAPTDRD2
SCHEMBL15621374 0.73 PTPN1 (0.49) MMP8MMP3PTPN1MAPTDRD2

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-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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 (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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MMP8 90/4885MMP3 589/4885PTPN1 153/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MMP8 136/4885MMP3 638/4885PTPN1 825/4885

“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.