SCHEMBL3883166

SCHEMBL3883166

COC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ESR2 Q92731 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
EPHX1 P07099 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
NR1H2 P55055 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.35
HPGD P15428 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
SCHEMBL26125769 1.00 ALDH1A1 (0.38) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL3883162 1.00 ALDH1A1 (0.38) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL26445348 0.87 ALDH1A1 (0.38) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL26124604 0.87 ALDH1A1 (0.38) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL18044499 0.86 ADORA1 (0.41) ALDH1A1ESR2USP2SMN1; SMN2NR1H2
SCHEMBL18044501 0.86 ADORA1 (0.41) ALDH1A1ESR2USP2SMN1; SMN2NR1H2
SCHEMBL18690048 0.86 ALDH1A1 (0.37) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL18690049 0.86 ALDH1A1 (0.37) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL17121815 0.86 ALDH1A1 (0.37) ALDH1A1ESR2USP2SMN1; SMN2MMP1
SCHEMBL31565629 0.84 USP2 (0.39) ALDH1A1ESR2USP2SMN1; SMN2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 CN disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP 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 (1 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 ALDH1A1 1468/4885ESR2 449/4885USP2 967/4885

“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.