SCHEMBL29488702

SCHEMBL29488702

C[C@H](N)C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17240285 0.82 SLC7A5 (0.41) DGAT1CA1CA2CA7NOS1
SCHEMBL10608008 0.82 SLC7A5 (0.41) DGAT1CA1CA2CA7NOS1
SCHEMBL10606693 0.80 NOS1 (0.33) DGAT1CA1CA2CA7NOS1
SCHEMBL1089194 0.80 DGAT1 (0.36) DGAT1CA1CA2CA7CYP2D6
SCHEMBL4209325 0.77 CA1 (0.32) DGAT1CA1CA2CA7NOS1
SCHEMBL10609673 0.77 SLC7A5 (0.47) CA1CA2CA7NOS1NOS3
SCHEMBL30053525 0.77 SLC7A5 (0.47) CA1CA2CA7NOS1NOS3
SCHEMBL11387554 0.76 DGAT1 (0.33) DGAT1CA1CA2CA7CYP2D6
SCHEMBL8868010 0.76 DGAT1 (0.33) DGAT1CA1CA2CA7CYP2D6
SCHEMBL10607365 0.76 SLC7A5 (0.33) DGAT1CA1CA2CA7NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415973-A1 USES OF HYALURONAN CONJUGATES AIHOL CORPORATION (US) 2024-12-19 US disclosed
CN-118791541-B ROS-responsive decitabine prodrug compound and preparation method and application thereof 中国药科大学 2024-11-29 CN disclosed
US-12128108-B2 Hyaluronan conjugates and uses thereof AIHOL CORPORATION (US) 2024-10-29 US disclosed
CN-118791541-A ROS-responsive decitabine prodrug compound and preparation method and application thereof 中国药科大学 2024-10-18 CN disclosed
CN-113660933-B Hyaluronic acid complexes and uses thereof 爱禾公司 2023-12-01 CN disclosed
US-20230080473-A1 HYALURONAN CONJUGATES AND USES THEREOF AIHOL CORPORATION (US) 2023-03-16 US disclosed
US-11524079-B2 Hyaluronan conjugates and uses thereof AIHOL CORPORATION (US) 2022-12-13 US disclosed
CN-114716662-A Acrylic acid and derivative functionalized water-soluble polymer thereof and application thereof 北京键凯科技股份有限公司 2022-07-08 CN disclosed
US-11337951-B2 Biologically active cannabidiol analogs UNIVERSITY OF MISSISSIPPI (US) 2022-05-24 US disclosed
US-11299513-B2 Cyclative release of peptidic compounds CIRCLE PHARMA, INC. (US) 2022-04-12 US disclosed
EP-3976019-A1 HYALURONAN CONJUGATES AND USES THEREOF Aihol Corporation (US) 2022-04-06 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 (6 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-11299513-B2 Cyclative release of peptidic compounds VIP, FURIN, PTMS DGAT1 4306/4885CA1 347/4885CA2 1605/4885
US-11337951-B2 Biologically active cannabidiol analogs CNR2, CNR1, OPRM1 DGAT1 715/4885CA1 2436/4885CA2 1719/4885
US-20230080473-A1 HYALURONAN CONJUGATES AND USES THEREOF CD44, SHBG, HTT DGAT1 2222/4885CA1 453/4885CA2 3969/4885
US-20240415973-A1 USES OF HYALURONAN CONJUGATES CD44, SHBG, HTT DGAT1 1985/4885CA1 329/4885CA2 3769/4885
US-11524079-B2 Hyaluronan conjugates and uses thereof CD44, SHBG, HTT DGAT1 2205/4885CA1 711/4885CA2 4158/4885
US-12128108-B2 Hyaluronan conjugates and uses thereof CD44, SHBG, HTT DGAT1 2222/4885CA1 453/4885CA2 3969/4885

“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.