SCHEMBL8220205

SCHEMBL8220205

CCOC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ESR1 P03372 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL17869737 0.85 GPR119 (0.47) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL2387458 0.85 GPR119 (0.47) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL2387399 0.83 HSP90AA1 (0.46) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL21963853 0.82 ALDH1A1 (0.43) HPGDALDH1A1LMNATSHRPOLB
SCHEMBL1017691 0.81 AKR1C3 (0.45) ALDH1A1DPP4PREPDPP8DPP9
SCHEMBL1365785 0.81 TDP1 (0.48) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL1367720 0.80 ALDH1A1 (0.48) HTTHPGDALDH1A1MAPK1LMNA
SCHEMBL12143003 0.78 CHRNB2 (0.51) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL2403958 0.78 CHRNB2 (0.51) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL2389143 0.78 CHRNB2 (0.51) HTTHPGDALDH1A1HSP90AA1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTT 3493/4885HPGD 1466/4885ALDH1A1 4257/4885

“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.