SCHEMBL131422

SCHEMBL131422

COC(=O)C(C#N)=Cc1ccc(O)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 13/20 0.55
TMPRSS4 Q9NRS4 9/20 0.50
P2RX7 Q99572 5/20 0.45
P2RX4 Q99571 4/20 0.45
MIF P14174 1/20 0.44
MEN1 O00255 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
KMT2A Q03164 1/20 0.42
MYLK Q15746 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
ESRRA P11474 1/20 0.42
RUVBL1 Q9Y265 1/20 0.41

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
SCHEMBL131421 1.00 P2RX1 (0.55) P2RX1TMPRSS4P2RX7P2RX4MIF
SCHEMBL131670 0.89 P2RX1 (0.58) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL131669 0.89 P2RX1 (0.58) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL330212 0.82 TMPRSS4 (0.58) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL21457442 0.78 MIF (0.55) MIFMEN1KMT2AADORA2AADORA2B
SCHEMBL21457439 0.78 MIF (0.55) MIFMEN1KMT2AADORA2AADORA2B
SCHEMBL29119411 0.75 MIF (0.72) MIFMEN1KMT2AADORA2AADORA2B
SCHEMBL23303456 0.72 P2RX1 (1.00) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL330415 0.69 TMPRSS4 (0.61) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL23464591 0.69 ESRRA (0.58) MEN1KMT2AADORA2AADORA2BADORA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP 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-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (12 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 P2RX1 4560/4885TMPRSS4 2764/4885P2RX7 4213/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 P2RX1 2484/4885TMPRSS4 4322/4885P2RX7 2360/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 P2RX1 4850/4885TMPRSS4 3353/4885P2RX7 4811/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT P2RX1 2927/4885TMPRSS4 4304/4885P2RX7 2720/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1459/4885TMPRSS4 1813/4885P2RX7 928/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885P2RX7 973/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 P2RX1 3156/4885TMPRSS4 3386/4885P2RX7 3197/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2425/4885TMPRSS4 4402/4885P2RX7 2267/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2389/4885TMPRSS4 4368/4885P2RX7 2289/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885TMPRSS4 3292/4885P2RX7 1605/4885

“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.