SCHEMBL136949

SCHEMBL136949

COC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1I)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6121669 1.00 TP53 (0.42) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL6121268 0.91 KDM4E (0.47) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL8511012 0.90
SCHEMBL6121480 0.90
SCHEMBL8514697 0.90
SCHEMBL16186971 0.90 TP53 (0.43) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL138193 0.89 TP53 (0.42) TP53KDM4EALDH1A1GAAHPGD
SCHEMBL135986 0.84 KDM4E (0.44) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL99986 0.83
SCHEMBL100100 0.82

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 EP disclosed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 EP disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 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-2640729-A1 INHIBITORS OF HIV REPLICATION VIIV Healthcare UK Limited (GB) 2013-09-25 EP disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 WO disclosed
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 WO disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US 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-20160355528-A1 INHIBITORS OF HIV REPLICATION RTF2, POLRMT, MAVS TP53 2227/4885KDM4E 917/4885ALDH1A1 4304/4885
US-20120136023-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS TP53 2227/4885KDM4E 917/4885ALDH1A1 4304/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TP53 3027/4885KDM4E 827/4885ALDH1A1 1925/4885

“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.