SCHEMBL16710348

SCHEMBL16710348

CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)cc1CC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.59
HSP90AB1 P08238 12/20 0.59
CREBBP Q92793 1/20 0.41
P2RY12 Q9H244 1/20 0.39
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PIR O00625 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL16701896 0.94 HSP90AA1 (0.68) HSP90AA1HSP90AB1CREBBPP2RY12ITGB3
SCHEMBL16710347 0.94 HSP90AA1 (0.61) HSP90AA1HSP90AB1PIR
SCHEMBL16710343 0.93 HSP90AA1 (0.60) HSP90AA1HSP90AB1PIR
SCHEMBL16710346 0.93 HSP90AA1 (0.64) HSP90AA1HSP90AB1P2RY12PIR
SCHEMBL16710342 0.92 HSP90AA1 (0.59) HSP90AA1HSP90AB1P2RY12
SCHEMBL16702000 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1PIR
SCHEMBL16701921 0.86 HSP90AA1 (0.69) HSP90AA1HSP90AB1PIR
SCHEMBL16702078 0.86 HSP90AA1 (0.74) HSP90AA1HSP90AB1P2RY12PIR
SCHEMBL16702118 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1AKR1C3AKR1C2
SCHEMBL16702447 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1P2RY12

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
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
WO-2015070238-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS THE UNIVERSITY OF KANSAS (US) 2015-05-14 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 (4 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-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885CREBBP 619/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885CREBBP 591/4885
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885CREBBP 591/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885CREBBP 591/4885

“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.