SCHEMBL207312

SCHEMBL207312

CCCCCCCCOc1ccc(Nc2nc(-c3csc(N)n3)cs2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.49
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
VCP P55072 2/20 0.39
NTSR1 P30989 1/20 0.39
NPY5R Q15761 1/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
CA12 O43570 4/20 0.39

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
SCHEMBL250321 0.99 S1PR1 (0.48) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL206927 0.90 S1PR1 (0.47) S1PR1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL208168 0.90 S1PR1 (0.46) S1PR1NPC1MEN1KMT2AALDH1A1
SCHEMBL204857 0.90 S1PR1 (0.47) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL205187 0.88 S1PR1 (0.50) S1PR1THRATHRBVCPNTSR1
SCHEMBL208574 0.88 S1PR1 (0.45) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL206871 0.88 S1PR1 (0.45) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL207944 0.88 NPY5R (0.56) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL206797 0.87 S1PR1 (0.46) S1PR1NPC1MEN1RAB9AKMT2A
SCHEMBL206216 0.87 S1PR1 (0.47) S1PR1NPC1MEN1RAB9AKMT2A

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 S1PR1 1259/4885NPC1 62/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885NPC1 62/4885MEN1 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.