SCHEMBL172826

SCHEMBL172826

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nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
DPP4 P27487 1/20 0.40
EPHX2 P34913 1/20 0.40
CNR1 P21554 2/20 0.35
CYP19A1 P11511 7/20 0.33
CYP17A1 P05093 3/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL173015 1.00 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL17347037 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL2888640 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL14269196 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL13202685 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL13870610 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL14269193 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL14943299 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL18543369 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1
SCHEMBL12894228 0.76 TDP1 (0.47) TDP1SIGMAR1DPP4EPHX2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 WO 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-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 TDP1 2499/4885SIGMAR1 4268/4885DPP4 4212/4885

“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.