SCHEMBL5099430

SCHEMBL5099430

CC(C)[C@H](COCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.52
▸ GPR119 Q8TDV5 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ STS P08842 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CCR1 P32246 1/20 0.45
▸ P2RX7 Q99572 6/20 0.45

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
SCHEMBL5099423 1.00 YAP1 (0.52) YAP1GPR119KDM4EPKML3MBTL1
SCHEMBL5099437 1.00 YAP1 (0.52) YAP1GPR119KDM4EPKML3MBTL1
SCHEMBL5096543 0.87 YAP1 (0.50) YAP1GPR119KDM4EPKML3MBTL1
SCHEMBL5092573 0.85 CTSK (0.46) SMN1; SMN2MEN1ALDH1A1POLBMAPK1
SCHEMBL5569616 0.82 YAP1 (0.55) YAP1GPR119KDM4EPKML3MBTL1
SCHEMBL12249924 0.81 YAP1 (0.62) YAP1GPR119KDM4EPKML3MBTL1
SCHEMBL2999882 0.81 YAP1 (0.62) YAP1KDM4EPKMHTTNPC1
SCHEMBL8147986 0.81 YAP1 (0.62) YAP1KDM4EPKMHTTNPC1
SCHEMBL2999886 0.81 YAP1 (0.62) YAP1KDM4EPKMHTTNPC1
SCHEMBL18822510 0.81 YAP1 (0.62) YAP1GPR119KDM4EPKML3MBTL1

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-7427632-B2 Factor Xa inhibitors ELI LILLY AND COMPANY (US) 2008-09-23 — — US disclosed
US-20060052606-A1 Factor xa Inhibitors ELI LILLY AND COMPANY 2006-03-09 — — US disclosed
EP-1581493-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-05 — — EP disclosed
WO-2004060872-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-07-22 — — WO 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-20060052606-A1 Factor xa Inhibitors F12, F11, SERPINC1 YAP1 3400/4885GPR119 2769/4885KDM4E 2994/4885

“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.

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