SCHEMBL6298347

SCHEMBL6298347

Cc1scnc1CCC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
FLT1 P17948 1/20 0.32
KDR P35968 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
SCHEMBL6298296 0.82 FLT1 (0.33) FLT1KDR
SCHEMBL21570143 0.81 NPSR1 (0.41) KDM4EPKM
SCHEMBL3505544 0.79 ALDH1A1 (0.36) KDM4EPKMFLT1KDR
SCHEMBL6298210 0.77 ALDH1A1 (0.51) KDM4EPKM
SCHEMBL10915724 0.75 SMN1; SMN2 (0.39) KDM4EPKM
SCHEMBL1792946 0.72
SCHEMBL6298298 0.72 GFER (0.32) KDM4E
SCHEMBL8413018 0.70
SCHEMBL5984274 0.69 GABRR1 (0.47) KDM4EPKM
SCHEMBL6296235 0.69 LTB4R (0.33)

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-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-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
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 (7 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 KDM4E 2079/4885PKM 2924/4885FLT1 2220/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885PKM 2924/4885FLT1 2220/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885PKM 2924/4885FLT1 2220/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885PKM 2924/4885FLT1 2220/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD KDM4E 1555/4885PKM 2193/4885FLT1 4160/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD KDM4E 1634/4885PKM 2199/4885FLT1 4203/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885PKM 2924/4885FLT1 2220/4885

“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.