SCHEMBL14243

SCHEMBL14243

COC(=O)c1cc2cc(-c3ccc(CCC(=O)O)cc3)ccc2n1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.50
FFAR1 O14842 7/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FFAR4 Q5NUL3 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SYK P43405 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL8242 0.86 LDHA (0.68) LDHAFFAR1RXRARXRBRXRG
SCHEMBL14212127 0.83 LDHA (0.44) LDHAL3MBTL1PTGS2
SCHEMBL8332 0.76 LDHA (0.68) LDHAFFAR1RXRARXRBRXRG
SCHEMBL14245 0.72 XDH (0.51) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL8400 0.70 LDHA (0.71) LDHARXRAL3MBTL1
SCHEMBL3533619 0.69 FFAR1 (0.87) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL14066660 0.69 FFAR1 (0.87) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL7884242 0.69 DAO (0.64) LDHAL3MBTL1
SCHEMBL661620 0.68 CYP4A11 (0.64) FFAR1
SCHEMBL27637469 0.68 FFAR1 (0.59) LDHAFFAR1RXRARXRBRXRG

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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US 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 1/4885FFAR1 3793/4885RXRA 3617/4885

“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.