SCHEMBL5993395

SCHEMBL5993395

C=CCC1CN(C(=O)OC(C)(C)C)CC1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
PDE4B Q07343 2/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL23669168 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL18787948 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL12944961 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL23669881 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL15866093 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL14031173 0.89 HPGD (0.42) NR1H2USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL22035920 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL21388760 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL18814078 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL22331591 0.84 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NAMPTMEN1

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-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 US disclosed
CN-113201002-A Compositions and methods for inhibiting arginase activity 卡里塞拉生物科学股份公司 2021-08-03 CN disclosed
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 US disclosed
CN-113150016-A Compositions and methods for inhibiting arginase activity 卡里塞拉生物科学股份公司 2021-07-23 CN disclosed
CN-113150015-A Compositions and methods for inhibiting arginase activity 卡里塞拉生物科学股份公司 2021-07-23 CN disclosed
CN-108271371-B Compositions and methods for inhibiting arginase activity 卡里塞拉生物科学股份公司 2021-02-09 CN disclosed
CN-110734456-A compounds, preparation method and medical application thereof 南京谷睿生物科技有限公司 2020-01-31 CN disclosed
CN-110709383-A Preparation method of (3R,4S) -3-acetamido-4-allyl-N- (tert-butyl) pyrrolidine-3-carboxamide 卡里塞拉生物科学股份公司 2020-01-17 CN disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 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 (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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885
US-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A NR1H2 4053/4885USP2 2492/4885SMN1; SMN2 2145/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885

“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.