SCHEMBL3465002

SCHEMBL3465002

CC(C)N(CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.65
HSP90AB1 P08238 14/20 0.65
TRAP1 Q12931 5/20 0.65
HSP90B1 P14625 2/20 0.65
ERBB2 P04626 2/20 0.65
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59

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
SCHEMBL21130154 0.92 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL18417663 0.91 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL17080306 0.90 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL16569779 0.88 HSP90AA1 (0.67) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL21889014 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL3464858 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL18460273 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL15980563 0.86 HSP90AB1 (0.60) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL3464842 0.86 HSP90AB1 (0.49) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2
SCHEMBL16569684 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1TRAP1HSP90B1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086792-B1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-10-12 EP disclosed
US-10793570-B2 Methods and reagents for radiolabeling MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-10-06 US disclosed
US-20200017502-A1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-01-16 US disclosed
US-10329293-B2 Methods and reagents for radiolabeling MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-06-25 US disclosed
US-9994573-B2 Methods and reagents for radiolabeling MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-06-12 US disclosed
US-9994573-B2 Methods and reagents for radiolabeling MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-06-12 US disclosed
US-20170029426-A1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-02 US disclosed
US-20170029426-A1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-02 US disclosed
WO-2015138039-A1 METHODS AND REAGENTS FOR RADIOLABELING MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-09-17 WO disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 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 (5 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-10793570-B2 Methods and reagents for radiolabeling HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 6/4885
US-20170029426-A1 METHODS AND REAGENTS FOR RADIOLABELING HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 6/4885
US-10329293-B2 Methods and reagents for radiolabeling HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 6/4885
US-20200017502-A1 METHODS AND REAGENTS FOR RADIOLABELING HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 6/4885
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885TRAP1 19/4885

“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.