SCHEMBL1004020

SCHEMBL1004020

CC(C)C1CCc2[nH]c(C(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
EIF4A3 P38919 6/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
GPR35 Q9HC97 2/20 0.31
PIN1 Q13526 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
DAO P14920 1/20 0.30
SRD5A2 P31213 1/20 0.30

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
SCHEMBL1003825 0.84 CYP1A2 (0.40) KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8159272 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777368 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL1004425 0.79 TDP1 (0.34) SMN1; SMN2ALOX15NFKB1BLMEIF4A3
SCHEMBL1004381 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15NFKB1BLMEIF4A3
SCHEMBL12777380 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15NFKB1BLMEIF4A3
SCHEMBL12844476 0.75 PDPK1 (0.37) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777472 0.75 PDPK1 (0.37) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777494 0.75 KDM4E (0.36) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL8159258 0.75 SMN1; SMN2 (0.35) SMN1; SMN2ALOX15NFKB1BLMKMT2A

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 9 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
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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE SMN1; SMN2 903/4885ALOX15 98/4885NFKB1 3351/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE SMN1; SMN2 903/4885ALOX15 98/4885NFKB1 3351/4885

“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.