SCHEMBL330295

SCHEMBL330295

CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2O)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.49
PLAU P00749 2/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLAT P00750 1/20 0.48
POLB P06746 3/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 3/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL330294 0.83 TMPRSS4 (0.58) KMT2AALDH1A1MEN1MAPTTMPRSS4
SCHEMBL23796416 0.76 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL31083917 0.76 CA12 (0.70) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL2313707 0.76 CA12 (0.70) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL1928502 0.75 CYP2C19 (0.62) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL330991 0.75 TMPRSS4 (0.68) KMT2AALDH1A1MEN1MAPTTMPRSS4
SCHEMBL8036269 0.75 KDM4E (0.56) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL26158579 0.73 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL15398496 0.72 RAB9A (0.48) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL7234951 0.72 CYP2C19 (0.70) KMT2AMEN1MAPTTSHRNPSR1

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 9 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
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 (4 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 KMT2A 4486/4885ALDH1A1 479/4885MEN1 4495/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KMT2A 4531/4885ALDH1A1 563/4885MEN1 4504/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KMT2A 4531/4885ALDH1A1 563/4885MEN1 4504/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KMT2A 4531/4885ALDH1A1 563/4885MEN1 4504/4885

“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.