SCHEMBL264635

SCHEMBL264635

CC(C)(C)C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.50
▸ NT5E P21589 1/20 0.49
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ TACR2 P21452 3/20 0.47
▸ GJB2 P29033 1/20 0.44
▸ PTPN1 P18031 6/20 0.44
▸ CDC25B P30305 6/20 0.44
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ PTPN2 P17706 2/20 0.42
▸ PTPN6 P29350 2/20 0.42
▸ PTPN11 Q06124 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL22419923 0.89 GJB2 (0.48) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL14750936 0.85 HTR1A (0.42) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL22419916 0.83 HTR1A (0.42) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL22419918 0.83 HTR1A (0.42) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL10945729 0.82 PTPN1 (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL23744216 0.82 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL20404663 0.82 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL21283070 0.82 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL20010200 0.82 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4
SCHEMBL18896703 0.82 HTR1A (0.52) HTR1ANT5ESSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 — — US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 — — US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 — — US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 — — US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 — — US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 — — 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS HTR1A 4285/4885NT5E 170/4885SSTR1 4452/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC HTR1A 4620/4885NT5E 1126/4885SSTR1 4449/4885

“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.

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