SCHEMBL2885196

SCHEMBL2885196

Cc1c(C(=O)O)cccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
DDX3X O00571 1/20 0.48
PTGER1 P34995 1/20 0.48
EIF4E P06730 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MYC P01106 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 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
SCHEMBL2013486 0.89 TSHR (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL4439669 0.85 TSHR (0.59) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL33663 0.85 TSHR (1.00) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL29120749 0.83 MAPT (0.57) TSHRTDP1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5787034 0.83 TSHR (0.96) TSHRTDP1L3MBTL1ALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL8032064 0.83 TSHR (0.96) TSHRTDP1L3MBTL1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6407719 0.83 TSHR (0.96) TSHRTDP1L3MBTL1ALDH1A1MEN1
Phthalic Acid SCHEMBL8740470 0.83 TSHR (0.83) TSHRTDP1L3MBTL1ALDH1A1MEN1
Benzoic Acid SCHEMBL6693657 0.81 TSHR (0.84) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL4245567 0.81 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283373-B2 Inhibitors of cytosolic phospholipase A2 PFIZER INC. (US) 2012-10-09 US disclosed
EP-1891006-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH LLC (US) 2010-11-24 EP disclosed
EP-2248801-A1 Inhibitors of cytosolic phospholipase a2 Wyeth LLC (US) 2010-11-10 EP disclosed
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 WYETH LLC 2010-02-04 US disclosed
US-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 NOVARTIS AG (CH) 2010-01-28 US disclosed
US-7557135-B2 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-07-07 US disclosed
EP-1891006-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 US disclosed
WO-2006128142-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2006-11-30 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 (3 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-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A TSHR 4125/4885TDP1 1941/4885L3MBTL1 3939/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A TSHR 4125/4885TDP1 1941/4885L3MBTL1 3939/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A TSHR 4125/4885TDP1 1941/4885L3MBTL1 3939/4885

“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.