SCHEMBL2127658

SCHEMBL2127658

O=C(O)Cc1ccc(-c2ccc(-c3ccc(CC(=O)O)s3)s2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.56
HPGD P15428 4/20 0.52
KMT2A Q03164 4/20 0.52
ACACA Q13085 2/20 0.50
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 2/20 0.45
APEX1 P27695 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
SELL P14151 7/20 0.43
SELP P16109 7/20 0.43
SELE P16581 4/20 0.43

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
SCHEMBL68973 0.85 HPGD (0.59) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL5663464 0.84 ACACA (0.60) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL13088311 0.83 DPP4 (0.62) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL5263932 0.81 APP (0.55) RPS6KB2HPGDKMT2AACACASELL
SCHEMBL11083765 0.79 HPGD (0.58) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL26038966 0.79 MAPT (0.51) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL20772791 0.79 RAB9A (0.47) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL5663442 0.78 RPS6KB2 (0.49) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL20796117 0.78 ACACA (0.50) RPS6KB2HPGDKMT2AACACAMAPT
SCHEMBL20796127 0.78 ACACA (0.50) RPS6KB2HPGDKMT2AACACAMAPT

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 18 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
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 US disclosed
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 US disclosed
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 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
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-26 US disclosed
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-26 US disclosed
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-26 US disclosed
WO-2010115080-A2 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-07 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 RPS6KB2 1821/4885HPGD 4032/4885KMT2A 4329/4885
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME APP, IAPP, DNPEP RPS6KB2 4788/4885HPGD 2417/4885KMT2A 4694/4885

“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.