SCHEMBL6298490

SCHEMBL6298490

CC(C)C(=O)CCc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
ALDH1A1 P00352 2/20 0.39
SLC6A3 Q01959 3/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.36
ACACB O00763 1/20 0.36
ADORA2A P29274 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP3A4 P08684 1/20 0.35
COPS5 Q92905 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G4A P47712 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
SCHEMBL14011302 0.82 FDPS (0.46) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL4574427 0.80 ALDH1A1 (0.47) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL28011812 0.80 FDPS (0.46) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL23922303 0.79 ALDH1A1 (0.43) FDPSALDH1A1TSHRPKMACACB
SCHEMBL992041 0.78 FDPS (0.44) FDPSALDH1A1SLC6A3TSHRCOPS5
SCHEMBL291399 0.77 ALDH1A1 (0.44) FDPSALDH1A1TSHRPKMTRPM8
SCHEMBL12530273 0.77 ALDH1A1 (0.44) FDPSALDH1A1TSHRPKMADORA2A
SCHEMBL14257698 0.77 FDPS (0.43) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL175216 0.77 FDPS (0.43) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL10153776 0.76 ALDH1A1 (0.42) FDPSALDH1A1TSHRPKMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
WO-2023081328-A1 HISTONE DEACETYLASE 6 INHIBITOR COMPOUNDS AND USES THEREOF VALO HEALTH, INC. (US) 2023-05-11 WO disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 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 (9 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD FDPS 91/4885ALDH1A1 1219/4885SLC6A3 2706/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FDPS 805/4885ALDH1A1 1067/4885SLC6A3 4268/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD FDPS 96/4885ALDH1A1 1309/4885SLC6A3 2736/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 FDPS 3576/4885ALDH1A1 1991/4885SLC6A3 4617/4885

“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.