SCHEMBL1006757

SCHEMBL1006757

N#Cc1cccc(CC2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
MGLL Q99685 1/20 0.39
EPHX1 P07099 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KCNH2 Q12809 1/20 0.37
CCR3 P51677 3/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FOLH1 Q04609 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL1005519 0.89 ESR1 (0.38) ROCK2ESR1ESR2FFAR1
SCHEMBL1055855 0.87 ROCK2 (0.40) ROCK2MGLLEPHX1SLC6A2SLC6A4
SCHEMBL12777445 0.84 DDB1 (0.44) ESR1ESR2
SCHEMBL1003853 0.84 DDB1 (0.44) ESR1ESR2
SCHEMBL2077165 0.83 MMP1 (0.41) ESR1ESR2
SCHEMBL12952179 0.83 ESR1 (0.40) ESR1ESR2
SCHEMBL1005398 0.83 ALDH1A1 (0.40) ESR1ESR2
SCHEMBL1003672 0.83 HCAR2 (0.40) ESR1ESR2LMNA
SCHEMBL1006812 0.83 ESR1 (0.40) ESR1ESR2CHRM2CHRM1CHRM3
SCHEMBL1005137 0.83 ESR1 (0.42) ESR1ESR2LMNA

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 ROCK2 2419/4885MGLL 2303/4885EPHX1 360/4885

“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.