SCHEMBL8167687

SCHEMBL8167687

CS(=O)(=O)NC1Cc2cc(C(=O)O)[nH]c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOB P04114 6/20 0.36
MTTP P55157 6/20 0.36
NR1H2 P55055 1/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIA2 P42262 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TBXA2R P21731 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12777463 1.00 APOB (0.36) APOBMTTPNR1H2CA1CA2
SCHEMBL8168290 0.81 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777452 0.81 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL8167570 0.79 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL12777459 0.79 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL8167674 0.78 DRD2 (0.36) CA1CA2ALOX15NFKB1BLM
SCHEMBL12777455 0.78 DRD2 (0.36) CA1CA2ALOX15NFKB1BLM
SCHEMBL1004208 0.73 ALOX15 (0.41) ALOX15NFKB1BLMSMN1; SMN2KMT2A
SCHEMBL8163947 0.73 ALOX15 (0.41) ALOX15NFKB1BLMSMN1; SMN2KMT2A
SCHEMBL12777473 0.71 CYP11B1 (0.33) CA1CA2ALOX15NFKB1BLM

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 5 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
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 APOB 1792/4885MTTP 2660/4885NR1H2 4228/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE APOB 1792/4885MTTP 2660/4885NR1H2 4228/4885

“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.