SCHEMBL254052

SCHEMBL254052

CCCCCOc1ccc(Nc2nc(CN3CCC(C(=O)OCC)CC3)cs2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 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
SCHEMBL248468 0.88 SPHK1 (0.43) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL250069 0.87 MEN1 (0.37) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL248376 0.86 SPHK1 (0.40) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL251973 0.86 MAPT (0.52) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL2698483 0.85 CDK4 (0.44) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL248422 0.84 S1PR5 (0.49) GAAMAPTKDM4EKMT2A
SCHEMBL206370 0.83 RAB9A (0.46) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL205648 0.82 S1PR1 (0.46) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL251178 0.82 HRH3 (0.44) MAPTKMT2AHRH3
SCHEMBL205154 0.82 GALR1 (0.36) GAAMAPTALDH1A1KMT2AHRH3

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 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 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.