SCHEMBL204767

SCHEMBL204767

Fc1cccc(-c2csc(Nc3cccc(OCc4ccccc4)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.60
CYP1A1 P04798 11/20 0.60
CYP1B1 Q16678 11/20 0.60
NPY5R Q15761 1/20 0.54
ALOX5 P09917 1/20 0.54
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
CLK1 P49759 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
ENPP2 Q13822 1/20 0.51

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
SCHEMBL207669 0.92 NPY5R (0.66) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL2706322 0.89 NPY5R (0.53) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL207028 0.87 AGER (0.67) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL205256 0.86 CYP1A2 (0.66) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL204328 0.84 CFTR (0.59) CYP1A2NPY5RALOX5MEN1NPC1
SCHEMBL205852 0.84 MEN1 (0.70) CYP1A2CYP1A1CYP1B1MEN1NPC1
SCHEMBL205743 0.84 PTGS2 (0.69) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL5022850 0.83 CYP1A1 (0.74) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL23742597 0.82 CYP1A1 (0.76) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL23742626 0.81 CYP1A1 (0.88) CYP1A2CYP1A1CYP1B1NPY5RALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CYP1A2 603/4885CYP1A1 212/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A2 603/4885CYP1A1 212/4885CYP1B1 235/4885

“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.