SCHEMBL330902

SCHEMBL330902

CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 10/20 0.70
P2RX1 P51575 7/20 0.64
KCNMA1 Q12791 3/20 0.59
P2RX4 Q99571 4/20 0.54
P2RX7 Q99572 4/20 0.54
SERPINE1 P05121 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
MEN1 O00255 1/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
KMT2A Q03164 1/20 0.51
MYLK Q15746 1/20 0.51

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
SCHEMBL330628 0.86 TMPRSS4 (0.52) TMPRSS4P2RX1KCNMA1LMNANR1H4
SCHEMBL330019 0.84 KCNMA1 (0.64) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL330413 0.82 TMPRSS4 (1.00) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL330263 0.79 P2RX1 (0.78) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL4262948 0.78 P2RX1 (1.00) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL330166 0.76 TMPRSS4 (1.00) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL330394 0.76 TMPRSS4 (0.79) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL13812647 0.76 P2RX1 (0.53) TMPRSS4P2RX1KCNMA1SERPINE1LMNA
SCHEMBL330023 0.75 TMPRSS4 (0.83) TMPRSS4P2RX1KCNMA1P2RX4P2RX7
SCHEMBL13997549 0.75 TMPRSS4 (0.62) TMPRSS4P2RX1KCNMA1P2RX4P2RX7

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 TMPRSS4 1813/4885P2RX1 1459/4885KCNMA1 3082/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885KCNMA1 3380/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885KCNMA1 3380/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885KCNMA1 3380/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885KCNMA1 2705/4885

“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.