SCHEMBL9976579

SCHEMBL9976579

COC(=O)Cc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3ccc(I)s3)cc2CC(=O)OC)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 2/20 0.41
DPP4 P27487 4/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
HDAC1 Q13547 1/20 0.38
RAB9A P51151 5/20 0.37
KMT2A Q03164 2/20 0.36
FABP3 P05413 1/20 0.36
FABP1 P07148 1/20 0.36
FABP2 P12104 1/20 0.36
FABP4 P15090 1/20 0.36
BLM P54132 1/20 0.36
FABP5 Q01469 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL9976580 0.92 KDM4E (0.47) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL9976578 0.91 ACACA (0.33) KDM4ENPC1ALDH1A1GAAGLA
SCHEMBL9976555 0.86 DPP4 (0.40) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL9976560 0.78 LTA4H (0.48) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL14646202 0.78 DPP4 (0.45) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL14645360 0.78 HSP90AB1 (0.37) KDM4ENPC1MAPTALDH1A1GAA
SCHEMBL15672431 0.77 ALDH1A1 (0.37) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL9976552 0.77 ALDH1A1 (0.45) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL9976572 0.76 LTA4H (0.42) KDM4ENPC1MAPTDPP4ALDH1A1
SCHEMBL14773874 0.76 ALDH1A1 (0.38) KDM4ENPC1MAPTALDH1A1LMNA

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 KDM4E 3846/4885NPC1 298/4885MAPT 18/4885

“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.