SCHEMBL17870955

SCHEMBL17870955

C#CCN1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.42
GLS O94925 4/20 0.42
SCD5 Q86SK9 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 2/20 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
SCHEMBL19471088 1.00 IDH1 (0.42) IDH1GLSSCD5NPC1LMNA
SCHEMBL9733041 0.86 GLS (0.42) IDH1GLSSCD5NPC1LMNA
SCHEMBL4731676 0.86 GLS (0.42) IDH1GLSSCD5NPC1LMNA
SCHEMBL29053818 0.82 LMNA (0.44) IDH1GLSSCD5NPC1LMNA
SCHEMBL29053815 0.82 LMNA (0.44) IDH1GLSSCD5NPC1LMNA
SCHEMBL17870942 0.80 GLS (0.46) IDH1GLSSCD5NPC1LMNA
SCHEMBL266818 0.80 GLS (0.46) IDH1GLSSCD5NPC1LMNA
SCHEMBL8138150 0.80 HDAC1 (0.44) IDH1GLSSCD5NPC1LMNA
SCHEMBL12333636 0.80 GLS (0.46) IDH1GLSSCD5NPC1LMNA
SCHEMBL2065159 0.78 GLS (0.43) IDH1GLSSCD5NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 WO disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 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 (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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 IDH1 704/4885GLS 1766/4885SCD5 998/4885
US-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL IDH1 2426/4885GLS 1689/4885SCD5 1189/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL IDH1 2426/4885GLS 1689/4885SCD5 1189/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 IDH1 1249/4885GLS 2215/4885SCD5 1086/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 IDH1 704/4885GLS 1766/4885SCD5 998/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 IDH1 1249/4885GLS 2215/4885SCD5 1086/4885

“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.