SCHEMBL330733

SCHEMBL330733

COc1ccc(O)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.78
P2RX1 P51575 7/20 0.71
TMPRSS4 Q9NRS4 6/20 0.68
P2RX4 Q99571 3/20 0.68
P2RX7 Q99572 3/20 0.68
PLAU P00749 2/20 0.61
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61
PLAT P00750 1/20 0.61
TYK2 P29597 2/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 2/20 0.53
CASP3 P42574 1/20 0.53

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
SCHEMBL25347627 0.87 FADS1 (0.68) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL18290068 0.83 P2RX1 (0.80) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL25349138 0.82 TMPRSS4 (0.64) FADS1P2RX1TMPRSS4PLAUF2
SCHEMBL332057 0.82 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL330475 0.81 P2RX1 (0.74) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL330534 0.81 P2RX1 (0.79) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL24460172 0.80 P2RX1 (0.70) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL130066 0.80 TMPRSS4 (1.00) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL30771752 0.80 P2RX1 (0.70) FADS1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL30771745 0.80 FADS1 (0.81) FADS1P2RX1TMPRSS4P2RX4P2RX7

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 10 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
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 FADS1 2284/4885P2RX1 1459/4885TMPRSS4 1813/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FADS1 2177/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB FADS1 2304/4885P2RX1 2316/4885TMPRSS4 3292/4885

“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.