SCHEMBL205256

SCHEMBL205256

Fc1cccc(-c2csc(Nc3cccc(Oc4ccccc4)c3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.66
CYP1A1 P04798 10/20 0.66
CYP1B1 Q16678 10/20 0.66
NPY5R Q15761 1/20 0.60
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.56
PTGS2 P35354 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 2/20 0.53
CFTR P13569 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
CLK1 P49759 1/20 0.53
GSK3A P49840 1/20 0.53

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
SCHEMBL207928 0.91 NPY5R (0.74) CYP1A2CYP1A1CYP1B1NPY5RPTGES
SCHEMBL5022850 0.88 CYP1A1 (0.74) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL2705770 0.87 PTGES (0.66) CYP1A2CYP1A1CYP1B1NPY5RPTGES
SCHEMBL23742597 0.86 CYP1A1 (0.76) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL204767 0.86 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL23742626 0.85 CYP1A1 (0.88) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL206799 0.85 AGER (0.70) CYP1A2CYP1A1CYP1B1NPY5RPTGES
SCHEMBL208919 0.84 SMN1; SMN2 (0.71) CYP1A2CYP1A1CYP1B1NPY5RALOX5
SCHEMBL208128 0.83 MEN1 (0.78) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL205866 0.83 CFTR (0.64) CYP1A2NPY5RPTGESALOX5PTGS2

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.