SCHEMBL206195

SCHEMBL206195

Cn1cncc1-c1csc(Nc2ccc(OCC3CCCCC3)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
MCHR1 Q99705 1/20 0.38
GALR1 P47211 1/20 0.36
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 3/20 0.35
PKM P14618 4/20 0.35
KIT P10721 3/20 0.35
P2RX3 P56373 2/20 0.35
ALOX5 P09917 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL209003 0.83 PTGES (0.41) PTGESMCHR1GALR1PKMALOX5
SCHEMBL205720 0.81 PTGES (0.44) PTGESMCHR1ALOX5
SCHEMBL208981 0.81 ALOX5 (0.49) PTGESSPHK2SPHK1ALOX5
SCHEMBL208207 0.81 PTGES (0.45) PTGESMCHR1GALR1P2RX3ALOX5
SCHEMBL205935 0.81 MEN1 (0.55) PKM
SCHEMBL206268 0.80 PTGES (0.42) PTGESMCHR1ALOX5
SCHEMBL205965 0.79 PSEN1 (0.48) PTGESMCHR1ALOX5PSEN1PSEN2
SCHEMBL206735 0.79 ABL1 (0.40) PTGESALOX5
SCHEMBL205926 0.78 PTGES (0.42) PTGESMCHR1ALOX5
SCHEMBL206190 0.77 ALOX5 (0.42) PTGESMCHR1ALOX5

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 4 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-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

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 PTGES 2882/4885MCHR1 3385/4885GALR1 3925/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGES 2882/4885MCHR1 3385/4885GALR1 3925/4885

“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.