SCHEMBL9976549

SCHEMBL9976549

NCCc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3cccs3)cc2CCN)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
DPP4 P27487 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9976551 0.91 LTA4H (0.42) LTA4HHTR1DHTR1BDPP4TAAR1
SCHEMBL9976572 0.91 LTA4H (0.42) LTA4HHTR1DHTR1BDPP4TAAR1
SCHEMBL9979863 0.89 LTA4H (0.38) LTA4HHTR1DHTR1BDPP4TAAR1
SCHEMBL9976553 0.87 LTA4H (0.53) LTA4HHTR1DHTR1BDPP4KDM4E
SCHEMBL12424299 0.84 DPP4 (0.49) LTA4HDPP4KDM4ENPC1MAPT
SCHEMBL14646214 0.81 HTR1D (0.30) HTR1DHTR1BTAAR1
SCHEMBL7744563 0.81 LTA4H (0.50) LTA4HHTR1DHTR1BDPP4TAAR1
SCHEMBL6481577 0.81 DPP4 (0.43) LTA4HDPP4KDM4ENPC1MAPT
Iodide SCHEMBL7901573 0.80 LTA4H (0.49) LTA4HHTR1DHTR1BDPP4TAAR1
SCHEMBL10062482 0.79 DPP4 (0.48) LTA4HDPP4KDM4ENPC1MAPT

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
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-2010044744-A1 NOVEL THIOPHENE COMPOUNDS FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2010-04-22 WO 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 LTA4H 2603/4885HTR1D 4324/4885HTR1B 3067/4885

“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.