SCHEMBL207101

SCHEMBL207101

CCCCCOc1ccc(Nc2nc(-c3cc4ccccc4o3)cs2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPT P10636 4/20 0.53
STAT1 P42224 1/20 0.53
CSNK2A1 P68400 1/20 0.52
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.45
PTGES O14684 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL204873 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL207214 0.88 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL206626 0.85 CSNK2A1 (0.58) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL2695557 0.85 CSNK2A1 (0.58) SMN1; SMN2NPC1RAB9AMAPTSTAT1
SCHEMBL207676 0.83 MAPT (0.53) SMN1; SMN2NPC1RAB9AMAPTCSNK2A1
SCHEMBL206015 0.81 PTGS2 (0.51) NPC1RAB9APTGES
SCHEMBL207054 0.81 MAPT (0.54) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL205267 0.80 CYP1A1 (0.53) NPC1RAB9APTGESMEN1KMT2A
SCHEMBL206360 0.79 MEN1 (0.45) SMN1; SMN2NPC1RAB9AMAPTPTGES
SCHEMBL207373 0.79 CSNK2A1 (0.60) SMN1; SMN2NPC1RAB9AMAPTSTAT1

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 8 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-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 3252/4885NPC1 62/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SMN1; SMN2 3252/4885NPC1 62/4885RAB9A 1357/4885

“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.