SCHEMBL10147425

SCHEMBL10147425

CC(C)CCCNS(=O)(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.50
REN P00797 2/20 0.42
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
KCNH2 Q12809 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL12232575 0.92 GRIA1 (0.57) GRIA1RENMEN1KMT2AALDH1A1
SCHEMBL19996825 0.86 GRIA1 (0.43) GRIA1RENKMT2AALDH1A1HTT
SCHEMBL23542459 0.84 GRIA1 (0.71) GRIA1RENCA1CA2CA12
SCHEMBL12436905 0.84 MEN1 (0.43) GRIA1RENMEN1KMT2AALDH1A1
SCHEMBL19996862 0.83 GRIA1 (0.42) GRIA1RENALDH1A1CA1CA2
SCHEMBL10147477 0.83 CA1 (0.54) GRIA1RENALDH1A1CA1CA2
SCHEMBL15611023 0.81 GRIA1 (0.48) GRIA1RENMEN1KMT2AHTR1A
SCHEMBL18949031 0.81 GRIA1 (0.54) GRIA1CA1CA2CA12CA7
SCHEMBL17771177 0.79 REN (0.40) GRIA1RENMEN1KMT2AALDH1A1
SCHEMBL10141254 0.79 GRIA1 (0.57) GRIA1CA1CA2CA12CA7

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-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P GRIA1 2975/4885REN 3484/4885MEN1 2755/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 GRIA1 3722/4885REN 3637/4885MEN1 4835/4885

“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.