SCHEMBL3279232

SCHEMBL3279232

O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.70
KCNMA1 Q12791 2/20 0.64
P2RX1 P51575 2/20 0.63
P2RX4 Q99571 1/20 0.62
P2RX7 Q99572 1/20 0.62
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
AKR1C3 P42330 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL2700887 0.85 TRPV1 (0.76) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL28109668 0.84 SMN1; SMN2 (0.70) KCNMA1P2RX1P2RX4P2RX7NPC1
SCHEMBL330234 0.84 P2RX1 (0.63) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL25350490 0.83 KCNMA1 (0.67) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL24460177 0.83 KCNMA1 (0.67) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL331595 0.83 TMPRSS4 (0.73) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL370359 0.83 TMPRSS4 (0.73) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL330413 0.83 TMPRSS4 (1.00) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL29367614 0.83 TMPRSS4 (0.73) TMPRSS4KCNMA1P2RX1P2RX4P2RX7
SCHEMBL25348597 0.82 KCNMA1 (0.66) TMPRSS4KCNMA1P2RX1P2RX4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP 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 (10 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA TMPRSS4 2764/4885KCNMA1 3127/4885P2RX1 4560/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 TMPRSS4 4322/4885KCNMA1 201/4885P2RX1 2484/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 TMPRSS4 3353/4885KCNMA1 2192/4885P2RX1 4850/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT TMPRSS4 4304/4885KCNMA1 197/4885P2RX1 2927/4885
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA TMPRSS4 4278/4885KCNMA1 680/4885P2RX1 2507/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA TMPRSS4 4257/4885KCNMA1 1120/4885P2RX1 4680/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 TMPRSS4 3386/4885KCNMA1 1584/4885P2RX1 3156/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR TMPRSS4 4402/4885KCNMA1 201/4885P2RX1 2425/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TMPRSS4 3984/4885KCNMA1 3082/4885P2RX1 3644/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR TMPRSS4 4368/4885KCNMA1 190/4885P2RX1 2389/4885

“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.