SCHEMBL14245

SCHEMBL14245

COC(=O)c1cc2cc(-c3ccc(CCC(=O)O)cc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
MMP2 P08253 3/20 0.51
MMP13 P45452 3/20 0.51
MMP14 P50281 3/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
FFAR1 O14842 9/20 0.49
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PPARG P37231 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6486908 0.83 MMP13 (0.61) MMP2MMP13MMP14KDM4ENPC1
SCHEMBL14212129 0.82 MMP13 (0.48) XDHMMP2MMP13MMP14KDM4E
SCHEMBL6512766 0.82 XDH (0.46) XDHITGB3ITGA2BFFAR1NPC1
SCHEMBL20494600 0.79 XDH (0.54) XDHMMP2MMP13MMP14KDM4E
SCHEMBL30071296 0.79 XDH (0.54) XDHMMP2MMP13MMP14KDM4E
SCHEMBL5842347 0.78 KDM4E (0.65) MMP2MMP13MMP14FFAR1KDM4E
SCHEMBL6517075 0.77 KDM4E (0.63) XDHMMP2MMP13MMP14KDM4E
SCHEMBL28486126 0.77 KDM4E (0.55) XDHMMP2MMP13MMP14KDM4E
SCHEMBL6521759 0.76 XDH (0.54) XDHMMP2MMP13MMP14KDM4E
SCHEMBL23512373 0.75 PIN1 (0.56) MMP2MMP13MMP14KDM4ERAB9A

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 XDH 80/4885MMP2 425/4885MMP13 1181/4885

“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.