SCHEMBL330458

SCHEMBL330458

O=C(Nc1ccc(Oc2ccc(SC(F)(F)F)cc2)c(C(F)(F)F)c1)c1cc(Cl)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 11/20 0.62
STK39 Q9UEW8 2/20 0.59
PARG Q86W56 1/20 0.55
P2RX1 P51575 5/20 0.53
P2RX4 Q99571 3/20 0.53
P2RX7 Q99572 3/20 0.53
PNLIP P16233 5/20 0.51
SLC2A1 P11166 1/20 0.50
MEN1 O00255 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
KMT2A Q03164 1/20 0.50
MYLK Q15746 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50

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
SCHEMBL330459 0.84 TMPRSS4 (0.61) TMPRSS4STK39PARGP2RX1P2RX4
SCHEMBL330265 0.80 TMPRSS4 (0.75) TMPRSS4STK39P2RX1P2RX4P2RX7
SCHEMBL13812719 0.78 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL14885891 0.78 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL24438027 0.77 PNLIP (0.82) STK39P2RX1PNLIPMEN1KMT2A
SCHEMBL29655162 0.77 PNLIP (0.82) STK39P2RX1PNLIPMEN1KMT2A
SCHEMBL330128 0.77 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330282 0.77 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL330225 0.74 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL14886085 0.74 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
US-7019016-B2 Therapy of sensorineural hearing loss in a mammal by administering NR2B subunit selective N-methyl-D-aspartate (NMDA) NR2B subtype receptor antagonist PFIZER INC (US) 2006-03-28 US claimed
US-6958351-B2 NMDA NR2B antagonists for treatment PFIZER INC (US) 2005-10-25 US claimed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US claimed
US-20040192763-A1 NMDA NR2B antagonists for treatment PFIZER, INC. 2004-09-30 US claimed
US-20040162312-A1 NMDA NR2B antagonists for treatment PFIZER PRODUCTS INC. 2004-08-19 US claimed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP claimed
US-20010007872-A1 METHOD OF TREATING ACUTE, CHRONIC AND/OR NEUROPATHIC PAIN MENNITI FRANK S (US) 2001-07-12 US claimed
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
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
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-20020072538-A1 NMDA NR2B antagonists for treatment PFIZER INC. 2002-06-13 US disclosed
EP-1199068-A2 NMDA NR2B antagonists for treating depression and neurodegenerative disorders Pfizer Products Inc. (US) 2002-04-24 EP disclosed
EP-1199067-A2 Prophylactic use of N-Methyl-D-Aspartate (NMDA) antagonists Pfizer Products Inc. (US) 2002-04-24 EP disclosed
EP-1186303-A2 Pharmaceutical combinations, for the treatment of stroke and traumatic brain injury, containing a neutrophil inhibiting factor and an selective NMDA-NR2B receptor antagonist Pfizer Products Inc. (US) 2002-03-13 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 (9 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-20010007872-A1 METHOD OF TREATING ACUTE, CHRONIC AND/OR NEUROPATHIC PAIN GRIN1, GRIN3A, GRIN3B TMPRSS4 3687/4885STK39 4281/4885PARG 3675/4885
US-20040192763-A1 NMDA NR2B antagonists for treatment GRIN2B, GRIN2A, GRIN1 TMPRSS4 2212/4885STK39 3539/4885PARG 3482/4885
US-20040162312-A1 NMDA NR2B antagonists for treatment GRIN2B, GRIN2A, GRIN1 TMPRSS4 2212/4885STK39 3539/4885PARG 3482/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1813/4885STK39 3946/4885PARG 4285/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885STK39 4023/4885PARG 4225/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885STK39 4023/4885PARG 4225/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885STK39 4023/4885PARG 4225/4885
US-20020072538-A1 NMDA NR2B antagonists for treatment GRIN2B, GRIN2A, GRIN1 TMPRSS4 2212/4885STK39 3539/4885PARG 3482/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885STK39 4673/4885PARG 4155/4885

“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.