SCHEMBL205899

SCHEMBL205899

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
S1PR1 P21453 4/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NR1I2 O75469 1/20 0.41
NFKB1 P19838 1/20 0.41
PPP1CA P62136 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MBD2 Q9UBB5 1/20 0.41
VCP P55072 2/20 0.41
NR4A1 P22736 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40

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
SCHEMBL206536 0.99 NPY5R (0.48) NPY5RS1PR1CSNK2A2CSNK2BMEN1
SCHEMBL207944 0.93 NPY5R (0.56) NPY5RS1PR1CSNK2A2CSNK2BMEN1
SCHEMBL206526 0.92 NPY5R (0.57) NPY5RS1PR1CSNK2A2CSNK2BMEN1
SCHEMBL205519 0.90 S1PR1 (0.44) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206797 0.87 S1PR1 (0.46) NPY5RS1PR1CSNK2A2CSNK2BMEN1
SCHEMBL205398 0.87 S1PR1 (0.44) S1PR1MEN1KMT2AMAPTNPSR1
SCHEMBL2696254 0.86 ALDH1A1 (0.43) S1PR1MEN1KMT2AMAPTNPSR1
SCHEMBL205460 0.85 MEN1 (0.50) NPY5RS1PR1MEN1KMT2AMAPT
SCHEMBL208687 0.85 NPY5R (0.46) NPY5RCSNK2A2CSNK2BMEN1KMT2A
SCHEMBL208574 0.84 S1PR1 (0.45) NPY5RS1PR1MEN1KMT2AMAPT

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 9 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 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 NPY5R 3686/4885S1PR1 1259/4885CSNK2A2 2434/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPY5R 3686/4885S1PR1 1259/4885CSNK2A2 2434/4885

“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.