SCHEMBL7052129

SCHEMBL7052129

O=C(O)C(O)(CCCc1ccccc1)C[PH](=O)CSc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.34
KCNJ11 Q14654 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC13A5 Q86YT5 2/20 0.33
NOS1 P29475 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL7047068 0.93 SLC13A5 (0.39) KDM4ECYP1A2CYP2D6MEN1LMNA
SCHEMBL7049054 0.86 MMP8 (0.37) KDM4ECYP1A2MEN1LMNAKMT2A
SCHEMBL7051421 0.83 KMT2A (0.41) KDM4ECYP1A2CYP2D6MEN1LMNA
SCHEMBL7047099 0.81 SLC13A5 (0.44) KDM4ECYP1A2CYP2D6MEN1LMNA
SCHEMBL7051275 0.80 HPGD (0.39) KDM4EMEN1LMNAKMT2AKCNJ11
SCHEMBL7050073 0.79 PRNP (0.46) KDM4ECYP1A2CYP2D6MEN1LMNA
SCHEMBL7052130 0.78 ALDH1A1 (0.33) KDM4EMEN1LMNAKMT2AEPHX2
SCHEMBL7050292 0.77 METAP2 (0.37) KDM4EMEN1LMNAKMT2AKCNJ11
SCHEMBL7049817 0.75 SLC13A5 (0.45) KDM4ECYP1A2CYP2D6MEN1LMNA
SCHEMBL7052115 0.73 LMNA (0.34) KDM4ECYP1A2CYP2D6MEN1LMNA

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
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 KDM4E 3133/4885CYP1A2 593/4885CYP2D6 1383/4885

“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.