SCHEMBL2773589

SCHEMBL2773589

CCOC(=O)c1c(C2CC2)cnn1-c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CACNA1C Q13936 2/20 0.39
POLB P06746 2/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RBP4 P02753 2/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1097050 0.90 PDE4D (0.43) TP53HSD17B10KDM4EALDH1A1CACNA1C
SCHEMBL24087503 0.87 SMN1; SMN2 (0.45) TP53KDM4EALDH1A1POLBL3MBTL1
SCHEMBL20833878 0.87 HTT (0.40) TP53HSD17B10KDM4EALDH1A1POLB
SCHEMBL2773569 0.86 PDE4D (0.41) TP53HSD17B10KDM4EALDH1A1POLB
SCHEMBL30035480 0.81 NOD2 (0.41) MAPK1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL24087507 0.81 TP53 (0.43) TP53KDM4EALDH1A1POLBHTT
SCHEMBL19689539 0.79 NR1H4 (0.39) TP53MAPK1HSD17B10KDM4EALDH1A1
SCHEMBL24087545 0.79 NOD2 (0.38) TP53KDM4EALDH1A1POLBL3MBTL1
SCHEMBL2773464 0.77 NR1H4 (0.38) L3MBTL1RBP4P2RX7
SCHEMBL27839489 0.77 RBP4 (0.34) L3MBTL1RBP4

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
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 TP53 4727/4885MAPK1 2982/4885USP2 4132/4885

“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.