SCHEMBL330274

SCHEMBL330274

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 11/20 1.00
P2RX7 Q99572 5/20 1.00
P2RX4 Q99571 4/20 1.00
P2RX3 P56373 1/20 1.00
TMPRSS4 Q9NRS4 2/20 0.61
PLG P00747 2/20 0.57
KLK1 P06870 2/20 0.57
KLK6 Q92876 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SERPINE1 P05121 1/20 0.56
ALOX15 P16050 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.55
TNF P01375 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
NOD1 Q9Y239 1/20 0.55

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
Hydrochloric Acid SCHEMBL7683285 0.82 EGLN1 (0.79) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL3496917 0.82 P2RX1 (0.69) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL11329513 0.80 MEN1 (0.74) P2RX1P2RX7P2RX4P2RX3PLG
SCHEMBL8311076 0.80 EGLN1 (0.80) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL8438773 0.80 PLG (0.74) P2RX1P2RX7P2RX4P2RX3PLG
SCHEMBL3497353 0.80 P2RX1 (0.72) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL29617489 0.79 P2RX1 (0.65) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL18341404 0.79 P2RX1 (0.65) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL14885889 0.79 P2RX1 (0.65) P2RX1P2RX7P2RX4P2RX3TMPRSS4
SCHEMBL24460216 0.78 P2RX1 (0.64) P2RX1P2RX7P2RX4P2RX3PLG

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 P2RX1 1459/4885P2RX7 928/4885P2RX4 2669/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885P2RX7 973/4885P2RX4 2695/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885P2RX7 1605/4885P2RX4 3466/4885

“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.