SCHEMBL9976547

SCHEMBL9976547

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL9976555 0.90 DPP4 (0.40) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL9976578 0.83 ACACA (0.33) ALDH1A1HTTRPS6KB2
SCHEMBL14773916 0.82 TSHR (0.33) AKR1B1MAPTMEN1ALDH1A1HTT
SCHEMBL14645594 0.82 MEN1 (0.37) AKR1B1MAPTMEN1ALDH1A1HTT
SCHEMBL9976569 0.82 DAO (0.36) AKR1B1MAPTMEN1ALDH1A1HTT
SCHEMBL14645296 0.82 POLB (0.41) MEN1ALDH1A1KMT2ARPS6KB2
SCHEMBL14646131 0.82 POLB (0.41) MEN1ALDH1A1KMT2ARPS6KB2
SCHEMBL14773880 0.82 SRC (0.36) AKR1B1MAPTMEN1ALDH1A1HTT
SCHEMBL14645928 0.82 KEAP1 (0.36) AKR1B1MAPTMEN1ALDH1A1HTT
SCHEMBL14773967 0.82 GABRP (0.35) AKR1B1MAPTMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350042-B1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY CPL BCX PHARMA AB (SE) 2015-07-29 EP 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
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-2010044743-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY BIOCHROMIX PHARMA AB (SE) 2010-04-22 WO disclosed
WO-2010044744-A1 NOVEL THIOPHENE COMPOUNDS FOR IN VIVO IMAGING BIOCHROMIX 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 (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-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY HSPE1, TTR, HTT AKR1B1 4467/4885MAPT 18/4885MEN1 4815/4885

“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.