SCHEMBL9976551

SCHEMBL9976551

NCCc1cc(-c2cccs2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CCN)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
DPP4 P27487 4/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
TAAR1 Q96RJ0 2/20 0.34
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL9976549 0.91 LTA4H (0.46) LTA4HDPP4HTR1DHTR1BTAAR1
SCHEMBL9976540 0.90 LTA4H (0.48) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL9976533 0.89 TAAR1 (0.35) TAAR1KDM4EMAPTMAPK1MEN1
SCHEMBL9976572 0.85 LTA4H (0.42) LTA4HDPP4HTR1DHTR1BTAAR1
SCHEMBL9979863 0.81 LTA4H (0.38) LTA4HDPP4HTR1DHTR1BTAAR1
SCHEMBL9976554 0.80 DPP4 (0.40) LTA4HDPP4ALDH1A1L3MBTL1KDM4E
SCHEMBL14646214 0.79 HTR1D (0.30) HTR1DHTR1BTAAR1
SCHEMBL7744563 0.79 LTA4H (0.50) LTA4HDPP4HTR1DHTR1BTAAR1
SCHEMBL9976553 0.79 LTA4H (0.53) LTA4HDPP4HTR1DHTR1BALDH1A1
Iodide SCHEMBL7901573 0.78 LTA4H (0.49) LTA4HDPP4HTR1DHTR1BTAAR1

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 2603/4885DPP4 1135/4885HTR1D 4324/4885

“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.