SCHEMBL205906

SCHEMBL205906

CCCCCOc1ccc(Nc2nc(-c3cccnc3C)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.44
S1PR1 P21453 3/20 0.42
MPL P40238 8/20 0.42
NTSR1 P30989 1/20 0.41
NPY5R Q15761 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PTGS2 P35354 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL206500 0.89 S1PR1 (0.42) VCPS1PR1MPLNTSR1NPY5R
SCHEMBL206113 0.87 VCP (0.45) VCPS1PR1MPLNTSR1NPY5R
SCHEMBL206797 0.87 S1PR1 (0.46) VCPS1PR1MPLNTSR1NPY5R
SCHEMBL206130 0.87 S1PR1 (0.48) VCPS1PR1MPLNTSR1
SCHEMBL250309 0.86 VCP (0.52) VCPS1PR1MPLNTSR1PTGS2
SCHEMBL207241 0.86 PTGS2 (0.48) VCPS1PR1MPLNTSR1NPC1
SCHEMBL250067 0.86 VCP (0.54) VCPS1PR1NTSR1MEN1ALDH1A1
SCHEMBL206526 0.86 NPY5R (0.57) VCPS1PR1NPY5RMEN1NPC1
SCHEMBL207944 0.85 NPY5R (0.56) VCPS1PR1NPY5RMEN1NPC1
SCHEMBL250791 0.85 VCP (0.44) VCPS1PR1MPLNTSR1NPY5R

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 VCP 1270/4885S1PR1 1259/4885MPL 4094/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 VCP 1270/4885S1PR1 1259/4885MPL 4094/4885

“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.