SCHEMBL9976534

SCHEMBL9976534

COC(=O)Cc1cc(-c2ccc(C(=O)O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CC(=O)OC)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR4A2 P43354 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL15695275 0.96 HPGD (0.39) HPGDALDH1A1TDP1ERN1POLB
SCHEMBL14645525 0.86 NPSR1 (0.37) HPGDALDH1A1KDM4E
SCHEMBL14646206 0.85 POLB (0.41) HPGDALDH1A1TDP1POLBRAB9A
SCHEMBL9976532 0.85 POLB (0.41) HPGDALDH1A1TDP1POLBRAB9A
SCHEMBL14645296 0.85 POLB (0.41) HPGDALDH1A1TDP1POLBRAB9A
SCHEMBL14646273 0.85 POLB (0.41) HPGDALDH1A1TDP1POLBRAB9A
SCHEMBL14646131 0.85 POLB (0.41) HPGDALDH1A1TDP1POLBRAB9A
SCHEMBL14645401 0.84 NPSR1 (0.42) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL14645283 0.83 KDM4E (0.34) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL9976578 0.83 ACACA (0.33) HPGDALDH1A1RAB9ARPS6KB2KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2350042-B1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY CPL BCX PHARMA AB (SE) 2015-07-29 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
US-8710246-B2 Substituted thiophene pentamers BIOCHROMIX NEWCO AB (SE) 2014-04-29 US disclosed
US-8710246-B2 Substituted thiophene pentamers BIOCHROMIX NEWCO AB (SE) 2014-04-29 US disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO 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
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY BIOCHROMIX PHARMA AB 2012-06-21 US disclosed
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY BIOCHROMIX PHARMA AB 2012-06-21 US disclosed
WO-2010044744-A1 NOVEL THIOPHENE COMPOUNDS FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2010-04-22 WO disclosed
WO-2010044743-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY BIOCHROMIX PHARMA AB (SE) 2010-04-22 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 (2 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 HPGD 4032/4885ALDH1A1 1466/4885TDP1 884/4885
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY HSPE1, TTR, HTT HPGD 4178/4885ALDH1A1 3577/4885TDP1 59/4885

“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.