SCHEMBL1004670

SCHEMBL1004670

Cc1cc(C)cc(C2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PIN1 Q13526 1/20 0.35
GPR35 Q9HC97 1/20 0.32
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
CDK9 P50750 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
SIRT1 Q96EB6 1/20 0.30
KMT2A Q03164 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL1007331 0.87 PIN1 (0.40) SMN1; SMN2ALOX15NFKB1BLMPIN1
SCHEMBL1004326 0.85 XDH (0.40) KMT2AALDH1A1LMNARAB9A
SCHEMBL1004511 0.83 NFKB1 (0.38) SMN1; SMN2ALOX15NFKB1BLMPDGFRA
SCHEMBL2075617 0.79 F7 (0.40) SMN1; SMN2ALOX15NFKB1BLMPDGFRA
SCHEMBL1003507 0.78 PDGFRA (0.40) SMN1; SMN2ALOX15NFKB1BLMPIN1
SCHEMBL1004549 0.77 TPMT (0.34) TPMTSMN1; SMN2ALOX15NFKB1BLM
SCHEMBL1004349 0.77 HCAR2 (0.37) SMN1; SMN2ALOX15NFKB1BLM
SCHEMBL1005502 0.76 TP53 (0.39) BLMPDGFRAPRKACAKDRCDK8
SCHEMBL2075976 0.76 MEN1 (0.39) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1003740 0.76 KDM4E (0.38) SMN1; SMN2NFKB1PDGFRAPRKACAKDR

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 8 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

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 TPMT 201/4885SMN1; SMN2 903/4885ALOX15 98/4885

“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.