SCHEMBL2999882

SCHEMBL2999882

COC(=O)C(CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.62
P2RX7 Q99572 8/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
CTSK P43235 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NTSR1 P30989 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL8147986 1.00 YAP1 (0.62) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL2999886 1.00 YAP1 (0.62) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL3008280 0.93 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL12652625 0.93 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL3008274 0.93 YAP1 (0.60) YAP1P2RX7KDM4EPKMCTSK
SCHEMBL18822510 0.92 YAP1 (0.62) YAP1P2RX7KDM4EPKMHTT
SCHEMBL12025774 0.92 YAP1 (0.57) YAP1KDM4EPKMHTTNPC1
SCHEMBL12025747 0.92 YAP1 (0.57) YAP1KDM4EPKMHTTNPC1
SCHEMBL12249924 0.92 YAP1 (0.62) YAP1P2RX7KDM4EPKMHTT
SCHEMBL478919 0.88 YAP1 (0.51) YAP1P2RX7KDM4EPKMCTSK

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
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 YAP1 4620/4885P2RX7 4701/4885KDM4E 1645/4885

“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.