SCHEMBL264579

SCHEMBL264579

CCC1C=CC(COS(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.36
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
VDR P11473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL260694 0.79 CYP3A4 (0.38) STAT3ALDH1A1GAACYP3A4CYP2C19
SCHEMBL15725212 0.78 STAT3 (0.39) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL15727886 0.77 GAA (0.43) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL18366814 0.76 STAT3 (0.40) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL25520733 0.76 STAT3 (0.40) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL15725214 0.76 CYP2D6 (0.40) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL14155964 0.75 STAT3 (0.39) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL18322206 0.75 CYP2D6 (0.41) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL27577227 0.75 ALDH1A1 (0.38) STAT3CYP2D6CYP1A2ALDH1A1GAA
SCHEMBL15727900 0.74 CYP2D6 (0.43) STAT3CYP2D6CYP1A2ALDH1A1GAA

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-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 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 STAT3 4199/4885CYP2D6 499/4885CYP1A2 1114/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS STAT3 4199/4885CYP2D6 499/4885CYP1A2 1114/4885

“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.