SCHEMBL204453

SCHEMBL204453

Cc1ccnc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.41
SPHK1 Q9NYA1 4/20 0.41
MEN1 O00255 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 3/20 0.40
NTSR1 P30989 1/20 0.40
VCP P55072 1/20 0.40
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
NPY5R Q15761 1/20 0.39
SLC2A1 P11166 1/20 0.39
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL208052 0.83 NPY5R (0.44) SPHK2SPHK1NTSR1VCPNPY5R
SCHEMBL206276 0.83 MPL (0.38) SPHK2SPHK1NTSR1VCPNPY5R
SCHEMBL206964 0.82 MEN1 (0.50) MEN1RAB9AKMT2ANPC1VCP
SCHEMBL204691 0.81 CFTR (0.52) SPHK2SPHK1MEN1KMT2AVCP
SCHEMBL206668 0.81 VCP (0.41) SPHK2SPHK1NTSR1VCPNPY5R
SCHEMBL208301 0.81 PTGS2 (0.45) SPHK2SPHK1MEN1RAB9AKMT2A
SCHEMBL207098 0.80 VCP (0.42) SPHK2SPHK1NTSR1VCPNPY5R
SCHEMBL206616 0.79 VCP (0.39) SPHK2SPHK1NTSR1VCPMCHR1
SCHEMBL2706190 0.79 VCP (0.35) SPHK2SPHK1NTSR1VCPNPY5R
SCHEMBL206608 0.79 SMN1; SMN2 (0.43) RAB9ANPC1NTSR1VCPMAPT

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 SPHK2 4034/4885SPHK1 3353/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK2 4034/4885SPHK1 3353/4885MEN1 3862/4885

“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.