SCHEMBL25218735

SCHEMBL25218735

CC(C)(C)OC(=O)NC(CCC(=O)CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
CTSK P43235 6/20 0.46
CTSS P25774 5/20 0.46
ACE P12821 1/20 0.45
FOLH1 Q04609 3/20 0.44
PPARD Q03181 2/20 0.44
RIMKLA Q8IXN7 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 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
SCHEMBL29005280 1.00 PPARA (0.46) PPARAPPARGCTSKCTSSACE
SCHEMBL2769978 0.89 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL1318658 0.89 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL1324835 0.89 FOLH1 (0.56) PPARAPPARGCTSKCTSSACE
SCHEMBL3604134 0.88 CTSK (0.49) PPARAPPARGCTSKCTSSACE
SCHEMBL27611196 0.88 CTSK (0.49) PPARAPPARGCTSKCTSSACE
SCHEMBL22371758 0.86 CTSK (0.51) PPARAPPARGCTSKCTSSACE
SCHEMBL22371757 0.86 CTSK (0.51) PPARAPPARGCTSKCTSSACE
SCHEMBL8926855 0.85 CTSK (0.47) PPARAPPARGCTSKCTSSACE
SCHEMBL8926847 0.85 CTSK (0.47) PPARAPPARGCTSKCTSSACE

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-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
EP-4185587-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 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 2023-05-16 CN disclosed
CN-116133660-A Compounds useful as factor XIa inhibitors 詹森药业有限公司 2023-05-16 CN 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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 PPARA 4652/4885PPARG 4600/4885CTSK 138/4885

“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.