SCHEMBL600114

SCHEMBL600114

CC(C)C(C(C)C)C(O[SiH3])(C(C)C)C1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
PTPN2 P17706 3/20 0.50
PTPN1 P18031 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
PTPN6 P29350 2/20 0.37

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
SCHEMBL600111 0.82 POLB (0.56) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL600113 0.80 POLB (0.56) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL600115 0.80 POLB (0.56) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL636579 0.76 POLB (0.72) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL636577 0.76 POLB (0.72) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL16457010 0.76 POLB (0.72) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL636578 0.76 POLB (0.72) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL19239536 0.74 POLB (0.71) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL17338747 0.73 POLB (0.69) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL17338736 0.73 POLB (0.69) POLBPTPN2PTPN1SMN1; SMN2MAPT

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 POLB 76/4885PTPN2 3715/4885PTPN1 4117/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD POLB 87/4885PTPN2 3612/4885PTPN1 4103/4885

“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.