SCHEMBL206506

SCHEMBL206506

Fc1ccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.80
MAPT P10636 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
RAB9A P51151 6/20 0.65
NPC1 O15118 4/20 0.65
TDP1 Q9NUW8 2/20 0.65
NPY5R Q15761 1/20 0.65
POLB P06746 1/20 0.65
PTGS2 P35354 2/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
GAA P10253 5/20 0.60
MAPK1 P28482 2/20 0.59
CYP1B1 Q16678 1/20 0.56
VCP P55072 1/20 0.55
ALDH1A1 P00352 3/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
AMY1A P0DUB6 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL205618 0.89 ALOX5 (1.00) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1818525 0.88 ALOX5 (0.77) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6926815 0.86 ALOX5 (0.85) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL11375904 0.84 PTGS2 (0.86) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL206171 0.83 ALOX5 (0.60) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL206333 0.83 ALOX5 (0.77) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL31126428 0.83 ALOX5 (0.78) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL205699 0.82 NPY5R (0.78) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL12297386 0.81 ALOX5 (0.78) ALOX5MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL207443 0.81 MEN1 (0.70) ALOX5MAPTSMN1; SMN2RAB9ANPC1

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 ALOX5 3410/4885MAPT 2207/4885SMN1; SMN2 3252/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885MAPT 2207/4885SMN1; SMN2 3252/4885

“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.