SCHEMBL207205

SCHEMBL207205

CCCCCCCOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.60
MAPT P10636 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 5/20 0.57
PTGS2 P35354 2/20 0.57
NPY5R Q15761 1/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
GAA P10253 4/20 0.56
MAPK1 P28482 2/20 0.53
CYP1B1 Q16678 1/20 0.53
VCP P55072 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 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
SCHEMBL206619 1.00 ALOX5 (0.60) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL208684 1.00 ALOX5 (0.60) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL208353 0.99 ALOX5 (0.61) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL205162 0.90 PTGS2 (0.73) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL207938 0.90 PTGS2 (0.73) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL208663 0.89 ALOX5 (0.60) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL249562 0.89 ALOX5 (0.77) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL206982 0.89 ALOX5 (0.60) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL204770 0.89 ALOX5 (0.67) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL206383 0.89 RAB9A (0.60) ALOX5MAPTRAB9ASMN1; SMN2NPC1

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 ALOX5 3410/4885MAPT 2207/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885MAPT 2207/4885RAB9A 1357/4885

“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.