SCHEMBL1969309

SCHEMBL1969309

CCC(=Cc1ccc(F)cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TBXAS1 P24557 2/20 0.40
PPARG P37231 3/20 0.34
AGBL2 Q5U5Z8 1/20 0.33
EPHX2 P34913 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL15755442 0.81 TBXAS1 (0.49) KDM4EL3MBTL1TBXAS1PPARGEPHX2
SCHEMBL1704854 0.81 TBXAS1 (0.49) KDM4EL3MBTL1TBXAS1PPARGEPHX2
SCHEMBL1914364 0.81 KDM4E (0.42) KDM4EL3MBTL1TBXAS1MEN1LMNA
SCHEMBL16737458 0.81 KDM4E (0.42) KDM4EL3MBTL1TBXAS1MEN1LMNA
SCHEMBL1411072 0.80 KDM4E (0.50) KDM4EL3MBTL1TBXAS1PPARGMEN1
SCHEMBL1411069 0.80 KDM4E (0.50) KDM4EL3MBTL1TBXAS1PPARGMEN1
SCHEMBL15518904 0.79 HCRTR1 (0.35) TBXAS1PPARGHDAC1LMNAKMT2A
SCHEMBL15518902 0.79 HCRTR1 (0.35) TBXAS1PPARGHDAC1LMNAKMT2A
SCHEMBL17397194 0.79 RECQL (0.50) KDM4EL3MBTL1AGBL2CYP2C19SMN1; SMN2
SCHEMBL17397195 0.79 RECQL (0.50) KDM4EL3MBTL1AGBL2CYP2C19SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B KDM4E 4083/4885L3MBTL1 1003/4885TBXAS1 2302/4885

“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.