SCHEMBL21296693

SCHEMBL21296693

Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.40
MCL1 Q07820 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC10A1 Q14973 6/20 0.36
GAA P10253 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
SCHEMBL21296661 0.89 MAPK1 (0.43) MAPK1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL21296716 0.86 MAPK1 (0.46) MAPK1KMT2AMEN1ALDH1A1GAA
SCHEMBL21296646 0.84 MAPK1 (0.47) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL25706774 0.83 SLC10A1 (0.44) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL25706772 0.80 SLC10A1 (0.44) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL21378230 0.79 SLC10A1 (0.48) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL21378231 0.79 SLC10A1 (0.48) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL19900871 0.78 KDM4E (0.44) MAPK1KDM4EMCL1KMT2AMEN1
SCHEMBL21296685 0.77 MAPK1 (0.60) MAPK1KDM4EMCL1KMT2AMEN1
SCHEMBL23223828 0.75 MAPK1 (0.63) MAPK1KDM4EKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759109-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES INC (US) 2023-08-30 EP disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
CN-111788204-B Substituted pyrrolizine compounds as inhibitors of HBV replication 吉利德科学公司 2023-05-05 CN disclosed
US-11420974-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2022-08-23 US disclosed
US-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
US-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
EP-3759109-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES, INC. (US) 2021-01-06 EP disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
CN-111788204-A Substituted pyrrolizine compounds as inhibitors of HBV replication 吉利德科学公司 2020-10-16 CN disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 US disclosed
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2019-09-26 US disclosed
WO-2019165374-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-29 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 (5 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-20210147429-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885KDM4E 1616/4885MCL1 905/4885
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS MAPK1 3270/4885KDM4E 1616/4885MCL1 905/4885
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885KDM4E 1616/4885MCL1 905/4885
US-11420974-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS MAPK1 3270/4885KDM4E 1616/4885MCL1 905/4885
US-20190292187-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS MAPK1 3270/4885KDM4E 1616/4885MCL1 905/4885

“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.