SCHEMBL8513642

SCHEMBL8513642

Cc1nc2sc3c(c2c(I)c1C(C)(O)C(=O)O)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
APP P05067 1/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL8510627 0.85 CSNK2A2 (0.45) KMT2AHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL8509760 0.84 TP53 (0.44) KMT2AHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL6121272 0.81 TP53 (0.43) KMT2AHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL3475677 0.79 KMT2A (0.48) KMT2AHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL6121480 0.74
SCHEMBL8511012 0.74
SCHEMBL8514697 0.74
SCHEMBL737833 0.72 KMT2A (0.49) KMT2AHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL135038 0.72 APP (0.48) KMT2AHPGDAPPCYP1A2HIF1A
SCHEMBL135158 0.71 KDM4E (0.60) KMT2AHPGDHIF1AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 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 (2 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 KMT2A 2301/4885HPGD 2291/4885CSNK2A2 3373/4885
US-20120136023-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS KMT2A 2301/4885HPGD 2291/4885CSNK2A2 3373/4885

“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.