SCHEMBL206980

SCHEMBL206980

COc1ncc(-c2csc(Nc3ccc(OCCC(C)CCCC(C)C)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 9/20 0.37
KMT2A Q03164 9/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 7/20 0.36
GAA P10253 4/20 0.36
PTGES O14684 1/20 0.36
PTGS2 P35354 3/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
IMPDH2 P12268 1/20 0.35

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
SCHEMBL207296 0.86 MEN1 (0.49) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL205759 0.85 ALOX5 (0.44) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL206274 0.83 MCHR1 (0.44) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL205565 0.82 MCHR1 (0.42) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL208826 0.82 MCHR1 (0.43) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL205530 0.81 PTGS2 (0.43) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL205722 0.80 MEN1 (0.53) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL207865 0.80 MEN1 (0.48) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL3130357 0.79 ALOX5 (0.45) ALOX5CYP1A1CYP1A2CYP1B1MCHR1
SCHEMBL3130311 0.78 ALOX5 (0.44) ALOX5CYP1A1CYP1A2CYP1B1MCHR1

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 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-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 3410/4885CYP1A1 212/4885CYP1A2 603/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885CYP1A1 212/4885CYP1A2 603/4885

“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.