SCHEMBL2770116

SCHEMBL2770116

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1CNCc1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
PPARA Q07869 2/20 0.40
NR1H4 Q96RI1 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
LNPEP Q9UIQ6 1/20 0.35
PTGER4 P35408 3/20 0.34
RORC P51449 1/20 0.34
MAOB P27338 1/20 0.34
P2RY1 P47900 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL2770974 0.93 NR1H4 (0.43) PPARANR1H4SMN1; SMN2MAOB
SCHEMBL2772424 0.90 NR1H4 (0.40) KDM4EPPARANR1H4RXRARXRB
SCHEMBL2771535 0.87 PPARA (0.39) KDM4EPPARANR1H4RXRARXRB
SCHEMBL2771740 0.87 KDM4E (0.40) KDM4ENR1H4RXRARXRBRXRG
SCHEMBL2773384 0.85 TRPM8 (0.40) PPARANR1H4RXRARXRBRXRG
SCHEMBL2770877 0.85 NR1H4 (0.42) PPARANR1H4RXRARXRBRXRG
SCHEMBL2773167 0.84 NR1H4 (0.47) KDM4EPPARANR1H4RXRARXRB
SCHEMBL2772321 0.83 NR1H4 (0.44) PPARANR1H4MAOB
SCHEMBL2770618 0.82 NR1H4 (0.58) KDM4EPPARANR1H4SMN1; SMN2KMT2A
SCHEMBL2769939 0.81 NR1H4 (0.41) PPARANR1H4RXRARXRBRXRG

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-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP claimed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US claimed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP claimed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO claimed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP 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 KDM4E 4469/4885PPARA 38/4885NR1H4 1/4885

“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.