Sugi Predict

Sugi Predict / Compounds / SCHEMBL4909841

SCHEMBL4909841

SCHEMBL4909841

CC(C)[Si](Oc1c2c(c(NS(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 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 12/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ IDH1 O75874 2/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ KAT2B Q92831 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGFR P43088 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PTGIR P43119 1/20 0.32
▸ PTGDR Q13258 1/20 0.32

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
SCHEMBL14270408 0.89 MAPK1 (0.37) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL14294499 0.88 PTGER4 (0.35) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL14573880 0.86 PTGER4 (0.33) PTGER4KDM4EALDH1A1GLO1
SCHEMBL14573800 0.86 IDH1 (0.36) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4653390 0.85 PTGER4 (0.32) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4916625 0.85 CYP2C19 (0.39) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4651038 0.84 MMP2 (0.38) KDM4EALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL5647884 0.83 CACNA2D1 (0.33) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL14573827 0.81 KDM4E (0.35) PTGER4KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL4943941 0.81 KDM4E (0.33) PTGER4KDM4EIDH1CACNA2D1TBXA2R

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
US-7404915-B2 Electromagnetic wave shielding material, method of manufacturing the same and electromagnetic wave shielding material for plasma display panel KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-29 — — US disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 — — US disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 — — US disclosed
US-20070138441-A1 Electromagnetic wave shielding material, method of manufacturing the same and electromagnetic wave shielding material for plasma display panel KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-06-21 — — 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 (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 3519/4885KDM4E 1581/4885ALDH1A1 1879/4885

“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.