SCHEMBL15980503

SCHEMBL15980503

CC(C)NCCCn1c(Sc2cc3c(cc2[131I])CCO3)nc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.67
HSP90AB1 P08238 12/20 0.67
ERBB2 P04626 6/20 0.67
HSP90B1 P14625 5/20 0.67
TRAP1 Q12931 3/20 0.67

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
SCHEMBL17449240 0.97 HSP90AA1 (0.64) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL15980494 0.93 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL11909860 0.90 HSP90AA1 (0.79) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL15980478 0.90 HSP90AA1 (0.67) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL15980500 0.89 HSP90AB1 (0.56) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL1669649 0.89 HSP90AA1 (0.79) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL17449244 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL17449247 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL17449248 0.89 HSP90AA1 (0.79) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
Pu-H71 SCHEMBL15980469 0.88 HSP90AA1 (0.81) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1

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-20170304470-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-10-26 US disclosed
US-9555137-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-01-31 US disclosed
US-20160015837-A1 HSP90-TARGETED CARDIAC IMAGING AND THERAPY MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-01-21 US disclosed
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-02 US disclosed
US-20140242602-A1 USES OF LABELED HSP90 INHIBITORS CORNELL UNIVERSITY (US) 2014-08-28 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 (3 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-20170304470-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885ERBB2 79/4885
US-20160015837-A1 HSP90-TARGETED CARDIAC IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885ERBB2 52/4885
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ERBB2 690/4885

“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.