SCHEMBL206608

SCHEMBL206608

CCOC(=O)c1csc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
DHODH Q02127 3/20 0.41
CFTR P13569 1/20 0.41
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 1/20 0.37
CTSK P43235 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL206368 0.84 CA12 (0.48) DHODHCFTRLMNANPSR1HSD17B10
SCHEMBL204453 0.79 SPHK2 (0.41) MAPTMAPK1NPC1RAB9ANTSR1
SCHEMBL206964 0.77 MEN1 (0.50) SMN1; SMN2LMNAMAPTTDP1ALDH1A1
SCHEMBL208052 0.77 NPY5R (0.44) CFTRNPSR1MAPTKDM4EMAPK1
SCHEMBL206276 0.76 MPL (0.38) CNR2NTSR1VCP
SCHEMBL204691 0.76 CFTR (0.52) CFTRNPSR1MAPTKDM4EMAPK1
SCHEMBL208301 0.76 PTGS2 (0.45) SMN1; SMN2LMNAHSD17B10MAPTKDM4E
SCHEMBL207098 0.75 VCP (0.42) CTSKCNR2NTSR1VCP
SCHEMBL206616 0.74 VCP (0.39) NTSR1VCP
SCHEMBL205840 0.74 SPHK1 (0.37) SMN1; SMN2HSD17B10MAPTALDH1A1NPC1

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 SMN1; SMN2 3252/4885DHODH 1219/4885CFTR 111/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885DHODH 1219/4885CFTR 111/4885

“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.