SCHEMBL14856604

SCHEMBL14856604

CC(C)C[C@@H](NC[C@@H]1CCCN1C(=O)c1cc(C(C)C)c(O)cc1O)C(=O)OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.40
HSP90AB1 P08238 2/20 0.38
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
HSP90B1 P14625 4/20 0.34
NPR3 P17342 1/20 0.34

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
SCHEMBL14990840 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPK14MAPK13MAPK12
SCHEMBL14856608 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPK14MAPK13MAPK12
SCHEMBL14856603 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPK14MAPK13MAPK12
SCHEMBL14856610 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPK14MAPK13MAPK12
SCHEMBL14856478 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1
SCHEMBL14856704 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1
SCHEMBL14856477 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1
SCHEMBL14856714 0.85 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1
SCHEMBL14856463 0.85 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1
SCHEMBL14991083 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP claimed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US claimed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US claimed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US claimed
EP-2580193-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS Chroma Therapeutics Ltd. (GB) 2013-04-17 EP claimed
WO-2011154708-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2011-12-15 WO claimed
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 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 (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-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885MAPK14 1677/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885MAPK14 1677/4885

“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.