SCHEMBL9976578

SCHEMBL9976578

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
GLA P06280 2/20 0.33
EGFR P00533 2/20 0.33
HPGD P15428 3/20 0.32
GFER P55789 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
RPS6KB2 Q9UBS0 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9976579 0.91 KDM4E (0.41) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL14645360 0.86 HSP90AB1 (0.37) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL14645283 0.84 KDM4E (0.34) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL14773874 0.84 ALDH1A1 (0.38) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL9976547 0.83 AKR1B1 (0.33) ALDH1A1RPS6KB2HTT
SCHEMBL9976534 0.83 HPGD (0.40) ACACAALDH1A1KDM4EGAAGLA
SCHEMBL15695240 0.82 HSP90AB1 (0.34) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL15695231 0.81 RXFP1 (0.33) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL14645436 0.81 KDM4E (0.33) ACACAHSP90AB1ALDH1A1KDM4EGAA
SCHEMBL9976580 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAGLAHPGD

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 6 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

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 ACACA 2318/4885HSP90AB1 19/4885ALDH1A1 3577/4885

“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.