SCHEMBL10228656

SCHEMBL10228656

CC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C(C)C)c2ccccc12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 1/20 0.30
CYP3A4 P08684 1/20 0.30
BBOX1 O75936 2/20 0.30
EGLN1 Q9GZT9 2/20 0.30
FTO Q9C0B1 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
SCHEMBL10226831 0.91 SLC22A12 (0.37) SLC22A12EGLN1
SCHEMBL10228657 0.91 SLC22A12 (0.39) SLC22A12MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10226569 0.90 SLC22A12 (0.35) SLC22A12MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10226571 0.89 SLC22A12 (0.34) SLC22A12MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10228277 0.88 SLC22A12 (0.38) SLC22A12MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10176887 0.87 SLC22A12 (0.48) SLC22A12CYP2C9
SCHEMBL10228268 0.87 SLC22A12 (0.37) SLC22A12MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10226544 0.86 SLC22A12 (0.38) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL10226828 0.86 SLC22A12 (0.53) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL10228271 0.86 SLC22A12 (0.56) SLC22A12CYP2C9CYP2C19CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8283369-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES. INC. (US) 2012-10-09 US disclosed
US-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2012-06-28 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-01 US disclosed
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 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 (6 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-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885MEN1 3842/4885KMT2A 3006/4885

“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.