SCHEMBL130829

SCHEMBL130829

CCCC(=O)c1ccc(OC)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 7/20 0.51
TMPRSS4 Q9NRS4 2/20 0.51
PPARA Q07869 1/20 0.49
TRPA1 O75762 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
HDAC8 Q9BY41 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
P2RX7 Q99572 3/20 0.46
P2RX4 Q99571 2/20 0.46
CYP1A2 P05177 1/20 0.46
P2RX3 P56373 1/20 0.46
GAA P10253 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45

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
SCHEMBL3276868 0.82 P2RX1 (0.53) P2RX1TMPRSS4PPARARXFP1HDAC8
SCHEMBL16709939 0.79 TMPRSS4 (0.68) P2RX1TMPRSS4ALDH1A1HPGDP2RX7
SCHEMBL1353224 0.78 TMPRSS4 (0.57) P2RX1TMPRSS4RXFP1HDAC8ALDH1A1
SCHEMBL176304 0.75 LMNA (0.57) P2RX1TMPRSS4
SCHEMBL1353921 0.74 PPARA (0.58) PPARARXFP1HDAC8
SCHEMBL1353005 0.74 RXFP1 (0.64) RXFP1HDAC8
SCHEMBL5325908 0.74 CTNNB1 (0.55) ALDH1A1HPGD
SCHEMBL175583 0.73 LMNA (0.56) P2RX1TMPRSS4RXFP1ALDH1A1CYP1A2
SCHEMBL11619672 0.73 CTNNB1 (0.54) HPGD
SCHEMBL127580 0.72 LRRK2 (0.59) P2RX1

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 12 patents. 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-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-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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-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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1459/4885TMPRSS4 1813/4885PPARA 2430/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885PPARA 2583/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885PPARA 2583/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885PPARA 2583/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885TMPRSS4 3292/4885PPARA 1513/4885

“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.