SCHEMBL14645404

SCHEMBL14645404

O=C(O)Cc1ccccc1-c1cc(CC(=O)O)c(-c2ccc(-c3sc(-c4ccccc4CC(=O)O)cc3CC(=O)O)s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 1/20 0.39
PTGS1 P23219 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
ACACA Q13085 1/20 0.36
BCAT2 O15382 1/20 0.36
SELL P14151 2/20 0.35
SELP P16109 2/20 0.35
SELE P16581 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
SCHEMBL14646219 0.95 PTGER1 (0.42) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14646169 0.93 AKR1B1 (0.40) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14646170 0.92 DPP4 (0.39) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14646159 0.89 PTGER1 (0.40) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14646167 0.88 PTGER1 (0.39) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14645294 0.87 FOLH1 (0.41) AKR1B1MEN1ALDH1A1MAPTHTT
SCHEMBL14646236 0.86 PTGER4 (0.52) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL15695303 0.86 PTGS1 (0.39) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL15695302 0.85 PTGS1 (0.38) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14646196 0.85 FOLH1 (0.40) AKR1B1PTGER1PTGER4PTGER3PTGER2

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 11 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
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
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-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
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 AKR1B1 1458/4885PTGER1 3768/4885PTGER4 4654/4885

“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.