Sugi Predict

Sugi Predict / Compounds / SCHEMBL600719

SCHEMBL600719

SCHEMBL600719

CC(C)C(C(C)C)C(O[SiH3])(C(C)C)C1CC(c2cc([N+](=O)[O-])ccc2C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ CHRNB4 P30926 3/20 0.34
▸ CHRNA3 P32297 3/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

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
SCHEMBL600720 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL600114 0.74 POLB (0.57) ALDH1A1MAPTSMN1; SMN2
SCHEMBL743844 0.73 POLB (0.49) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL19742164 0.72 DRD2 (0.46) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL22123315 0.72 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL1918784 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL17911484 0.69 HTT (0.42) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL17911485 0.69 HTT (0.42) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL29226874 0.68 MPO (0.47) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL29226876 0.68 MPO (0.47) ALDH1A1CYP3A4ALOX15TDP1HTT

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-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 — — US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 — — US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 — — US disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 — — 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA ALDH1A1 2844/4885CYP3A4 728/4885ALOX15 770/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD ALDH1A1 2674/4885CYP3A4 677/4885ALOX15 687/4885

“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.