SCHEMBL21570194

SCHEMBL21570194

Cn1ncc(CCC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
FFAR1 O14842 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMO O15229 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KEAP1 Q14145 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
TBXAS1 P24557 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24158709 0.85 ALDH1A1 (0.37) NR1H4NPC1RAB9AALDH1A1MAPT
SCHEMBL22775905 0.78 FFAR1 (0.37) NR1H4L3MBTL1FFAR1NPSR1NPC1
SCHEMBL22724002 0.72 HTT (0.36)
SCHEMBL2629336 0.70 NR1H4 (0.44) NR1H4L3MBTL1MAPK1HDAC6KDM4E
SCHEMBL13799647 0.69 NR1H4 (0.54) NR1H4L3MBTL1MAPK1NPSR1KDM4E
SCHEMBL2113281 0.69 FFAR1 (0.53) FFAR1NPSR1RXRARXRBRXRG
SCHEMBL22437429 0.67 NR1H4 (0.48) NR1H4L3MBTL1MAPK1HDAC6NPSR1
Hydrochloric Acid SCHEMBL30000923 0.67 NR1H4 (0.51) NR1H4L3MBTL1HDAC6NPSR1KDM4E
SCHEMBL14319133 0.67 NR1H4 (0.51) NR1H4L3MBTL1HDAC6NPSR1KDM4E
SCHEMBL2629331 0.67 CYP2C9 (0.56) NR1H4L3MBTL1MAPK1HDAC6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 EP 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
EP-3793565-A1 MCL-1 INHIBITORS Gilead Sciences, Inc. (US) 2021-03-24 EP disclosed
CN-112118845-A MCL-1 inhibitors 吉利德科学公司 2020-12-22 CN 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

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 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 NR1H4 4003/4885L3MBTL1 616/4885MAPK1 2090/4885

“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.