SCHEMBL1004208

SCHEMBL1004208

CC1Cc2cc(C(=O)O)[nH]c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR35 Q9HC97 2/20 0.35
PIN1 Q13526 1/20 0.35
DAO P14920 2/20 0.34
MAPT P10636 1/20 0.34
SRD5A2 P31213 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL8163947 1.00 ALOX15 (0.41) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL1003990 0.83 CYP1A2 (0.44) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL8159266 0.79 ALOX15 (0.42) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777369 0.79 ALOX15 (0.42) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL8168290 0.77 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777372 0.77 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777452 0.77 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL8151467 0.77 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL8162454 0.77 KDM4E (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777469 0.77 KDM4E (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1

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 ALOX15 98/4885NFKB1 3351/4885BLM 4815/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALOX15 98/4885NFKB1 3351/4885BLM 4815/4885

“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.