SCHEMBL1003983

SCHEMBL1003983

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
MAPK14 Q16539 1/20 0.35
DHODH Q02127 1/20 0.35
ESRRA P11474 1/20 0.35
CFTR P13569 1/20 0.34
BACE1 P56817 1/20 0.34
MGLL Q99685 2/20 0.34
GUSB P08236 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC11 Q96DB2 2/20 0.33
P2RY14 Q15391 1/20 0.33
MPL P40238 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
SCHEMBL1003985 1.00 KIF11 (0.37) KIF11MAPK14DHODHESRRACFTR
SCHEMBL1004042 0.89 GAA (0.38)
SCHEMBL1004044 0.89 GAA (0.38)
SCHEMBL1004456 0.88 HDAC2 (0.40)
SCHEMBL1004455 0.88 HDAC2 (0.40)
SCHEMBL1004921 0.85 PDCD1 (0.35) DHODH
SCHEMBL1004923 0.85 PDCD1 (0.35) DHODH
SCHEMBL1005559 0.82 NR4A2 (0.44) CFTR
SCHEMBL1005560 0.82 NR4A2 (0.44) CFTR
SCHEMBL2077297 0.81 IKBKB (0.43)

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 3 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
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

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 KIF11 4595/4885MAPK14 2118/4885DHODH 16/4885

“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.