SCHEMBL330104

SCHEMBL330104

CCOC(=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 3/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
DHODH Q02127 5/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RY1 P47900 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL29403662 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL329927 0.91 DHODH (0.54) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL3475608 0.84 TMPRSS4 (0.52) SMN1; SMN2TMPRSS4MAPT
SCHEMBL330267 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL329799 0.82 MEN1 (0.64) SMN1; SMN2KDM4EALDH1A1HPGDDHODH
SCHEMBL330403 0.81 TMPRSS4 (0.55) SMN1; SMN2HPGDTMPRSS4MAPT
SCHEMBL7229694 0.77 ALDH1A1 (0.55) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL332059 0.76 TMPRSS4 (0.49) NPC1RAB9ATMPRSS4RXFP1
SCHEMBL23742064 0.75 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL330258 0.75 TMPRSS4 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ATMPRSS4

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 SMN1; SMN2 4852/4885KDM4E 4017/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB SMN1; SMN2 4820/4885KDM4E 3631/4885ALDH1A1 1025/4885

“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.