SCHEMBL1003793

SCHEMBL1003793

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP12 P39900 2/20 0.35
ABL1 P00519 1/20 0.34
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DHODH Q02127 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
SLC6A3 Q01959 1/20 0.33
BCL2 P10415 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP9 P14780 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
SCHEMBL1004070 0.92 MMP2 (0.42) MMP1MMP2MMP12ESR1ESR2
SCHEMBL1004674 0.91 ESR1 (0.41) MMP1MMP2MMP12ESR1ESR2
SCHEMBL1006707 0.88 ACMSD (0.39) MMP1MMP2MMP12ABL1ESR1
SCHEMBL1004866 0.88 CYP26A1 (0.42) MMP2SLC6A3
SCHEMBL1003670 0.88 AGXT (0.39) MMP1MMP12CHRM3
SCHEMBL2077322 0.85 HCRTR1 (0.43) MMP2ABL1CYP4F2CYP4A11HCRTR1
SCHEMBL2075046 0.83 ESR1 (0.33) MMP1MMP2MMP12ABL1ESR1
SCHEMBL1003014 0.83 MMP2 (0.39) MMP2MMP12ESR1ESR2MMP9
SCHEMBL1004824 0.83 ALDH1A1 (0.41) MMP2
SCHEMBL1004547 0.83 SLC6A4 (0.43) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MMP1 2976/4885MMP2 1641/4885MMP12 2065/4885

“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.