SCHEMBL250514

SCHEMBL250514

CCCCCOc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.52
KMT2A Q03164 10/20 0.52
MEN1 O00255 9/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 12/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 5/20 0.50
LMNA P02545 3/20 0.50
S1PR1 P21453 2/20 0.49
KDM4E B2RXH2 3/20 0.48
STAT3 P40763 1/20 0.48
GAA P10253 4/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL206208 0.91 S1PR1 (0.48) SIRT5KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL207519 0.90 CSNK2A1 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL251202 0.88 SIRT5 (0.55) SIRT5KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL206916 0.88 ALOX5 (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2700258 0.87 ALOX5 (0.59) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL206595 0.87 MAPT (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL206430 0.87 ALOX5 (0.47) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL204744 0.87 MAPT (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL205751 0.87 S1PR1 (0.46) SIRT5KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL206476 0.87 S1PR1 (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 SIRT5 706/4885KMT2A 3476/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SIRT5 706/4885KMT2A 3476/4885MEN1 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.