SCHEMBL4736102

SCHEMBL4736102

COc1ccc(-n2c(SCC(=O)O)nnc2C(F)(F)F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL10227726 0.86 SLC22A12 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11915756 0.82 SLC22A12 (0.47) SLC22A12ALDH1A1NPC1RAB9ATSHR
SCHEMBL4736083 0.81 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10227725 0.80 SLC22A12 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6432060 0.77 ALDH1A1 (0.60) ALDH1A1TSHRSMN1; SMN2GAAHPGD
SCHEMBL4736052 0.72 SLC22A12 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10176742 0.71 SLC22A12 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4735826 0.71 TSHR (0.80) ALDH1A1NPC1RAB9ATSHRL3MBTL1
SCHEMBL4736027 0.71 USP2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL10226521 0.69 SLC22A12 (0.51) CYP1A2CYP2C9SLC22A12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 US disclosed
US-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 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-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885

“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.