SCHEMBL5962495

SCHEMBL5962495

Cc1nnc(SC(C)(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL17198658 0.79 NPC1 (0.44) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL19311639 0.78 FBP1 (0.42) POLB
SCHEMBL13471211 0.77 GAA (0.41) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL18683558 0.74 FBP1 (0.56) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL29644185 0.74 GAA (0.50) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL3791857 0.74 GAA (0.48) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL19221871 0.73 GAA (0.34) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL3729632 0.72
SCHEMBL18026717 0.71 GAA (0.52) GAAL3MBTL1MAPTPKMRAB9A
SCHEMBL3379221 0.70

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240069439-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF USE EASTMAN KODAK COMPANY 2024-02-29 US disclosed
US-20240069439-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF USE EASTMAN KODAK COMPANY 2024-02-29 US disclosed
WO-2020099858-A1 CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-05-22 WO disclosed
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080176825-A1 Oral Neurotherapeutic Cefazolin Compositons REVAAX PHARMACEUTICALS, LLC 2008-07-24 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (8 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-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 GAA 892/4885L3MBTL1 1131/4885MAPT 3313/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 GAA 440/4885L3MBTL1 2995/4885MAPT 87/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 GAA 363/4885L3MBTL1 1534/4885MAPT 1317/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 GAA 220/4885L3MBTL1 3681/4885MAPT 4488/4885
US-20080176825-A1 Oral Neurotherapeutic Cefazolin Compositons BDNF, PRSS12, PYGB GAA 3289/4885L3MBTL1 3644/4885MAPT 157/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 GAA 76/4885L3MBTL1 1538/4885MAPT 3247/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 GAA 299/4885L3MBTL1 3510/4885MAPT 4489/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 GAA 363/4885L3MBTL1 1534/4885MAPT 1317/4885

“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.