SCHEMBL330991

SCHEMBL330991

Cc1cc(C)cc(NC(=O)c2cc(Br)ccc2O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.68
P2RX1 P51575 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
ALDH1A1 P00352 2/20 0.68
PLAU P00749 2/20 0.58
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58
PLAT P00750 1/20 0.58
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 2/20 0.57
SORT1 Q99523 1/20 0.55
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
STAT3 P40763 1/20 0.52
HPGD P15428 2/20 0.51
CES2 O00748 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
Dibromsalan SCHEMBL646973 0.83 PLAU (0.73) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
Dibromsalan SCHEMBL29496335 0.83 PLAU (0.73) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL13189437 0.81 P2RX1 (0.82) TMPRSS4P2RX1MEN1KMT2A
SCHEMBL331484 0.81 P2RX1 (0.74) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL11932157 0.81 P2RX1 (1.00) TMPRSS4P2RX1MEN1POLBKMT2A
SCHEMBL23303235 0.81 P2RX1 (0.68) TMPRSS4P2RX1PLAUF2F10
SCHEMBL23336137 0.81 TMPRSS4 (0.63) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL330461 0.81 P2RX1 (0.68) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL330113 0.81 TMPRSS4 (0.67) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL30343477 0.81 TMPRSS4 (0.67) TMPRSS4P2RX1CYP1A2CYP2C9CYP2C19

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 1459/4885CYP1A2 1547/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885CYP1A2 1583/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885CYP1A2 1583/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885CYP1A2 1583/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885CYP1A2 1483/4885

“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.