SCHEMBL1004381

SCHEMBL1004381

CC1CCc2[nH]c(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GPR35 Q9HC97 2/20 0.33
PIN1 Q13526 1/20 0.33
CYP2C19 P33261 1/20 0.33
DAO P14920 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
TSHR P16473 1/20 0.32
EIF4A3 P38919 1/20 0.31

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
SCHEMBL12777380 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777494 0.82 KDM4E (0.36) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL1004723 0.82 CYP1A2 (0.42) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL8163964 0.82 KDM4E (0.36) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL8159272 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777368 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12844476 0.79 PDPK1 (0.37) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL12777472 0.79 PDPK1 (0.37) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL8159258 0.79 SMN1; SMN2 (0.35) SMN1; SMN2ALOX15NFKB1BLMKMT2A
SCHEMBL1004020 0.79 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 11 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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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 (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.