Sugi Predict

Sugi Predict / Compounds / SCHEMBL30200036

SCHEMBL30200036

SCHEMBL30200036

CCOC(=O)CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CTSK P43235 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CTSS P25774 3/20 0.42

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
SCHEMBL2721300 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2721298 0.90 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL646731 0.89 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL28337005 0.86 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL28337006 0.86 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL19422705 0.86 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL15434470 0.85 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2463121 0.84 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL14777840 0.84 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL2301394 0.84 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286429-B2 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2025-04-29 — — US disclosed
CN-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 — — CN disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 — — US disclosed
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 — — 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 (3 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-12286429-B2 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide derivatives useful as a factor XIa inhibitors F11, F12, F13A1 CYP1A2 451/4885CYP2C9 613/4885CYP2C19 912/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 CYP1A2 714/4885CYP2C9 794/4885CYP2C19 824/4885
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors F11, F12, F13A1 CYP1A2 368/4885CYP2C9 519/4885CYP2C19 709/4885

“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.