SCHEMBL6296552

SCHEMBL6296552

Cc1nc(CCC(=O)C(C)C)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
SLC6A3 Q01959 2/20 0.43
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL12158564 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6302701 0.82 SLC6A3 (0.43) SMN1; SMN2NPC1ALDH1A1SLC6A3
SCHEMBL8538449 0.81 MAPT (0.54) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL21576963 0.78 PKM (0.36) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL7363409 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6296847 0.77 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL24158836 0.77 MAPT (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL12128215 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10031019 0.75 PKM (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13851664 0.75 MAPT (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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 13 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
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US 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-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

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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD SMN1; SMN2 4359/4885MAPT 1327/4885NPC1 787/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD SMN1; SMN2 4356/4885MAPT 1198/4885NPC1 754/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 SMN1; SMN2 1771/4885MAPT 3361/4885NPC1 963/4885

“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.