SCHEMBL137057

SCHEMBL137057

Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 6/20 0.68
HPGD P15428 3/20 0.66
LMNA P02545 2/20 0.66
GAA P10253 1/20 0.66
ADORA1 P30542 3/20 0.59
HSD17B10 Q99714 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
CES2 O00748 1/20 0.49
ALOX15 P16050 2/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4154525 0.99 ALDH1A1 (0.67) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3769768 0.85 TDP1 (0.69) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL134682 0.82 TDP1 (0.65) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3773567 0.81 ALDH1A1 (0.73) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL134129 0.81 ALDH1A1 (0.73) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL140059 0.81 MAPT (1.00) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL1637546 0.80 ALDH1A1 (1.00) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL4144407 0.80 ALDH1A1 (0.71) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL4147685 0.80 ANO1 (0.64) MAPTTP53
SCHEMBL135664 0.79 ALDH1A1 (0.73) ALDH1A1MAPTHPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 US claimed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 US disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
EP-2214663-A1 SPHINGOSINE- 1- PHOSPHATE (S1P) RECEPTOR COMPOUNDS Universiteit Leiden (NL) 2010-08-11 EP disclosed
WO-2009063301-A1 SPHINGOSINE- 1- PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2009-05-22 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 (3 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-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885HPGD 466/4885
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 ALDH1A1 4570/4885MAPT 4166/4885HPGD 3221/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885HPGD 466/4885

“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.