Sugi Predict

Sugi Predict / Compounds / SCHEMBL14645455

SCHEMBL14645455

SCHEMBL14645455

COC(=O)Cc1ccsc1-c1ccc(-c2sc(I)cc2CC(=O)OC)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 3/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ RPS6KB2 Q9UBS0 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL15695241 0.95 KDM4E (0.32) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL14645360 0.91 HSP90AB1 (0.37) KMT2AALOX15KDM4EALDH1A1GLA
SCHEMBL14646181 0.88 KMT2A (0.41) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL15695240 0.87 HSP90AB1 (0.34) KMT2ATP53ALOX15KDM4EALDH1A1
SCHEMBL14645340 0.85 KMT2A (0.36) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL15695224 0.84 KMT2A (0.38) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL15695222 0.81 KDM4E (0.34) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL15695225 0.81 ALDH1A1 (0.33) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL14645236 0.79 RAB9A (0.41) KMT2ATP53ALOX15MAPK1KDM4E
SCHEMBL14645324 0.79 NPSR1 (0.38) KMT2ATP53ALOX15MAPK1KDM4E

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
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 — — EP claimed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 — — WO claimed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 — — US disclosed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 — — US disclosed
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 — — EP disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 — — US disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 — — US disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 — — WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 — — WO 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 (1 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-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY PRNP, TBCA, HSPA5 KMT2A 4329/4885TP53 165/4885ALOX15 3805/4885

“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.