SCHEMBL330258

SCHEMBL330258

CC(C)(C)C(=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.43
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SORT1 Q99523 1/20 0.40
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLAT P00750 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL330373 0.87 KCNMA1 (0.50) TMPRSS4MEN1KMT2A
SCHEMBL331430 0.86 MAPT (0.53) TMPRSS4MAPTGAASORT1PLAU
SCHEMBL329927 0.84 DHODH (0.54) MAPTSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL3475591 0.84 RAB9A (0.56) MAPTGAASMN1; SMN2MEN1RAB9A
SCHEMBL330478 0.82 TMPRSS4 (0.43) TMPRSS4MAPTGAASORT1PLAU
SCHEMBL330465 0.81 TMPRSS4 (0.42) TMPRSS4MAPTGAASORT1PLAU
SCHEMBL3475608 0.79 TMPRSS4 (0.52) TMPRSS4MAPTGAASORT1PLAU
SCHEMBL330623 0.78 MEN1 (0.39) TMPRSS4MAPTGAASORT1SMN1; SMN2
SCHEMBL330102 0.77 TRPV4 (0.45)
SCHEMBL330403 0.77 TMPRSS4 (0.55) TMPRSS4MAPTGAASORT1PLAU

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 1813/4885MAPT 1849/4885GAA 525/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MAPT 2086/4885GAA 618/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MAPT 2086/4885GAA 618/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885MAPT 2086/4885GAA 618/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885MAPT 2435/4885GAA 954/4885

“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.