SCHEMBL8347

SCHEMBL8347

O=C(O)c1cc2c(C(F)(F)F)cccc2n1O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.66
CCR2 P41597 2/20 0.55
DAO P14920 1/20 0.50
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RORC P51449 5/20 0.36
SLC9A1 P19634 1/20 0.36
RBP4 P02753 1/20 0.36
PPARG P37231 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL29812990 0.83 CCR2 (0.54) LDHACCR2RORCSLC9A1
SCHEMBL699773 0.80 CCR2 (0.63) LDHACCR2PPARG
SCHEMBL7624 0.80 LDHA (1.00) LDHACCR2DAOHDAC6
SCHEMBL8055 0.79 DAO (0.54) LDHACCR2DAOHDAC4HDAC1
SCHEMBL8261 0.76 CCR2 (0.56) LDHACCR2DAOHDAC4HDAC1
SCHEMBL8260 0.76 DAO (0.59) LDHADAOHDAC4HDAC1HDAC7
SCHEMBL14118716 0.76 DAO (0.54) LDHACCR2DAOHDAC4HDAC1
SCHEMBL16240396 0.75 LDHA (0.67) LDHACCR2DAORORCPPARG
SCHEMBL16240015 0.74 LDHA (0.72) LDHA
SCHEMBL8149 0.74 LDHA (0.79) LDHACCR2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD LDHA 1/4885CCR2 4452/4885DAO 565/4885

“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.