SCHEMBL2336142

SCHEMBL2336142

CC(C)(C)OC(=O)N1CCC(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
STS P08842 1/20 0.45
PIK3CD O00329 5/20 0.43
TACR1 P25103 1/20 0.42
PIK3CA P42336 3/20 0.42
USP30 Q70CQ3 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1D1 P20393 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40

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
SCHEMBL2335175 1.00 MAPT (0.47) MAPTTDP1CYP2C9CYP2C19POLB
SCHEMBL14848764 0.93 MAPT (0.44) MAPTTDP1CYP2C9CYP2C19POLB
SCHEMBL18615601 0.87 MAPT (0.48) MAPTTDP1CYP2C9CYP2C19POLB
SCHEMBL18615597 0.87 MAPT (0.48) MAPTTDP1CYP2C9CYP2C19POLB
SCHEMBL18615671 0.87 MAPT (0.48) MAPTTDP1CYP2C9CYP2C19POLB
SCHEMBL29116484 0.84 USP30 (0.45) MAPTTDP1STSPIK3CDTACR1
SCHEMBL31233745 0.84 USP30 (0.45) MAPTTDP1STSPIK3CDTACR1
SCHEMBL27077000 0.84 USP30 (0.45) MAPTTDP1STSPIK3CDTACR1
SCHEMBL2339872 0.83 STS (0.51) STSPIK3CDTACR1PIK3CAUSP30
SCHEMBL2339564 0.83 STS (0.51) STSPIK3CDTACR1PIK3CAUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975262-B2 Synthetic mimetics of host defense and uses thereof CELLCEUTIX CORPORATION (US) 2015-03-10 US claimed
US-20130090345-A1 Synthetic Mimetics Of Host Defense And Uses Thereof POLYMEDIX, INC. (US) 2013-04-11 US claimed
US-8278309-B2 Synthetic mimetics of host defense and uses thereof POLYMEDIX, INC. (US) 2012-10-02 US claimed
EP-2358380-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF Polymedix, Inc. (US) 2011-08-24 EP claimed
WO-2010062573-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF POLYMEDIX, INC. (US) 2010-06-03 WO claimed
US-20100105703-A1 Synthetic Mimetics Of Host Defense And Uses Thereof POLYMEDIX, INC. (US) 2010-04-29 US claimed
US-20230310435-A1 HOST DEFENSE PROTEIN (HDP) MIMETICS FOR PROPHYLAXIS AND/OR TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT INNOVATION PHARMACEUTICALS INC. (US) 2023-10-05 US disclosed
EP-3258927-B1 HOST DEFENSE PROTEIN (HDP) MIMETICS FOR PROPHYLAXIS AND/OR TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT INNOVATION PHARMACEUTICALS INC (US) 2021-06-09 EP disclosed
US-20160243117-A1 Host Defense Protein (HDP) Mimetics For Prophylaxis And/Or Treatment Of Inflammatory Diseases Of The Gastrointestinal Tract CELLCEUTIX CORPORATION (US) 2016-08-25 US disclosed
US-8975262-B2 Synthetic mimetics of host defense and uses thereof CELLCEUTIX CORPORATION (US) 2015-03-10 US disclosed
CN-102256614-B Synthetic mimetics of host defense and uses thereof POLYMEDIX INC 2014-01-08 CN disclosed
US-20130090345-A1 Synthetic Mimetics Of Host Defense And Uses Thereof POLYMEDIX, INC. (US) 2013-04-11 US disclosed
US-8278309-B2 Synthetic mimetics of host defense and uses thereof POLYMEDIX, INC. (US) 2012-10-02 US disclosed
EP-2358380-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF Polymedix, Inc. (US) 2011-08-24 EP disclosed
WO-2010062573-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF POLYMEDIX, INC. (US) 2010-06-03 WO disclosed
US-20100105703-A1 Synthetic Mimetics Of Host Defense And Uses Thereof POLYMEDIX, INC. (US) 2010-04-29 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 (4 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-20130090345-A1 Synthetic Mimetics Of Host Defense And Uses Thereof TLR3, MYD88, TLR5 MAPT 4705/4885TDP1 4134/4885CYP2C9 4158/4885
US-20160243117-A1 Host Defense Protein (HDP) Mimetics For Prophylaxis And/Or Treatment Of Inflammatory Diseases Of The Gastrointestinal Tract FABP2, HMGB1, MASP2 MAPT 4232/4885TDP1 3674/4885CYP2C9 4692/4885
US-20100105703-A1 Synthetic Mimetics Of Host Defense And Uses Thereof TLR3, MYD88, TLR5 MAPT 4705/4885TDP1 4134/4885CYP2C9 4158/4885
US-20230310435-A1 HOST DEFENSE PROTEIN (HDP) MIMETICS FOR PROPHYLAXIS AND/OR TREATMENT OF INFLAMMATORY DISEASES OF THE GASTROINTESTINAL TRACT FABP2, HMGB1, MASP2 MAPT 4232/4885TDP1 3674/4885CYP2C9 4692/4885

“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.