SCHEMBL2640889

SCHEMBL2640889

CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)cc1CC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.67
HSP90AB1 P08238 12/20 0.67
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAP1LC3B Q9GZQ8 2/20 0.43
MAP1LC3A Q9H492 2/20 0.43
POLQ O75417 1/20 0.43
ALB P02768 1/20 0.43
KDR P35968 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAOB P27338 1/20 0.41
TOP1 P11387 1/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6936655 0.91 HSP90AA1 (0.70) HSP90AA1HSP90AB1AKR1C3MAP1LC3BMAP1LC3A
SCHEMBL1607499 0.90 HSP90AA1 (0.59) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL16702118 0.88 HSP90AA1 (0.57) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL1607210 0.88 HSP90AA1 (0.57) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL1607188 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL1606871 0.87 HSP90AA1 (0.56) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL1606988 0.86 HSP90AA1 (0.72) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL1607463 0.85 HSP90AA1 (0.87) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ
SCHEMBL1607567 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1AKR1C3AKR1C2MAP1LC3B
SCHEMBL1607229 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1MAP1LC3BMAP1LC3APOLQ

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
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
EP-2438078-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2012-04-11 EP disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 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 (2 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885AKR1C3 2899/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 HSP90AA1 17/4885HSP90AB1 13/4885AKR1C3 3110/4885

“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.