SCHEMBL20435656

SCHEMBL20435656

COc1cccc2cc(S(=O)(=O)N3CCOCC3)c(=O)oc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.65
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA9 Q16790 3/20 0.65
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 1/20 0.52
CNR1 P21554 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL20435676 0.89 CA12 (0.67) CA12CA1CA2CA9NPC1
SCHEMBL20435688 0.89 CA12 (0.67) CA12CA1CA2CA9NPC1
SCHEMBL20435706 0.88 CA12 (0.65) CA12CA1CA2CA9NPC1
SCHEMBL20435662 0.86 CA12 (0.62) CA12CA1CA2CA9NPC1
SCHEMBL20435698 0.81 HPGD (0.61) CA12CA1CA2CA9NPC1
SCHEMBL20435719 0.81 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL20435682 0.80 SMN1; SMN2 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL20435664 0.78 CA12 (0.70) CA12CA1CA2CA9ALDH1A1
SCHEMBL20435690 0.77 CA12 (0.69) CA12CA1CA2CA9ALDH1A1
SCHEMBL29483582 0.76 NPC1 (0.70) NPC1ALDH1A1NPSR1TSHRCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity Zander Biologics, Inc (US) 2022-07-05 US disclosed
US-11324719-B2 Small molecule agonists and antagonists of NR2F6 activity in humans KCL THERAPEUTICS, INC. (US) 2022-05-10 US disclosed
US-20200071307-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN ANIMALS Zander Therapeutics, Inc. (US) 2020-03-05 US disclosed
US-10472351-B2 Small molecule agonists and antagonists of NR2F6 activity in animals Zander Therapeutics, Inc. (US) 2019-11-12 US disclosed
WO-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 WO disclosed
WO-2019104201-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS Zander Therapeutics, Inc. (US) 2019-05-31 WO disclosed
US-20190054118-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Animals Zander Therapeutics, Inc. 2019-02-21 US disclosed
US-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans KCL THERAPEUTICS, INC 2018-08-02 US disclosed
US-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans KCL THERAPEUTICS, INC 2018-08-02 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 (6 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-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans NR4A2, NR2C2, NR0B2 CA12 4294/4885CA1 4707/4885CA2 4820/4885
US-20200071307-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN ANIMALS NR4A2, NR2C2, NR0B2 CA12 4297/4885CA1 4626/4885CA2 4797/4885
US-20190054118-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Animals NR4A2, NR2C2, NR0B2 CA12 4297/4885CA1 4626/4885CA2 4797/4885
US-11324719-B2 Small molecule agonists and antagonists of NR2F6 activity in humans NR4A2, NR2C2, NR0B2 CA12 4294/4885CA1 4707/4885CA2 4820/4885
US-11377442-B2 Small molecule agonists and antagonists of NR2F6 activity NR4A2, NR2C2, NR2F2 CA12 4080/4885CA1 4515/4885CA2 4777/4885
US-10472351-B2 Small molecule agonists and antagonists of NR2F6 activity in animals NR4A2, NR2C2, NR0B2 CA12 4297/4885CA1 4626/4885CA2 4797/4885

“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.