SCHEMBL2556035

SCHEMBL2556035

N#Cc1ccc(C(=O)CC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
POLB P06746 1/20 0.43
P4HB P07237 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL27427399 0.81 GSK3B (0.58) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL11983785 0.79 GSK3B (0.70) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL2561581 0.79 GSK3B (0.66) GSK3BALDH1A1P4HBMEN1KMT2A
SCHEMBL319223 0.78 GSK3B (0.68) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL5737219 0.77 MMP2 (0.62) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL29283444 0.76 GSK3B (0.51) GSK3BCA2CA1RAB9AALDH1A1
SCHEMBL311121 0.76 GSK3B (0.66) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL13545641 0.76 GSK3B (0.66) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL1657827 0.76 GSK3B (0.66) GSK3BCA2CA1SIGMAR1RAB9A
SCHEMBL250688 0.76 GSK3B (1.00) GSK3BCA2CA1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 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 (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-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 GSK3B 3443/4885CA2 3771/4885CA1 3472/4885

“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.