SCHEMBL4653390

SCHEMBL4653390

CC(C)[Si](Oc1c2c(c(N(C)S(C)(=O)=O)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.32
KAT2B Q92831 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CACNA2D1 P54289 1/20 0.31
TP53 P04637 1/20 0.31
IDH1 O75874 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGIR P43119 1/20 0.31
PTGDR Q13258 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
SCHEMBL5647884 0.91 CACNA2D1 (0.33) PTGER4KAT2BMAPK1KDM4ECYP2C19
SCHEMBL4943941 0.88 KDM4E (0.33) PTGER4KDM4EL3MBTL1CACNA2D1IDH1
SCHEMBL14607530 0.88 MAPK1 (0.34) PTGER4KAT2BMAPK1KDM4ECYP2C19
SCHEMBL14573759 0.87 PTGER4 (0.35) PTGER4MAPK1ALDH1A1L3MBTL1TP53
SCHEMBL14573777 0.87 IDH1 (0.34) PTGER4KAT2BMAPK1L3MBTL1CACNA2D1
SCHEMBL14573644 0.86 KAT2B (0.36) KAT2BMAPK1KDM4ECYP2C19ALDH1A1
SCHEMBL4909841 0.85 PTGER4 (0.34) PTGER4KAT2BMAPK1KDM4ECYP2C19
SCHEMBL4914381 0.85 CYP2C19 (0.39) PTGER4KAT2BMAPK1KDM4ECYP2C19
SCHEMBL14573762 0.85 PTGER4 (0.34) PTGER4MAPK1TBXA2RPTGFRPTGER3
SCHEMBL29390607 0.85 KDM4E (0.39) KAT2BKDM4ECYP2C19L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973908-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-10-01 EP disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 US disclosed
WO-2007076005-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-07-05 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-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds TYMP, DUT, SAMHD1 PTGER4 3519/4885KAT2B 2463/4885MAPK1 2806/4885

“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.