SCHEMBL206457

SCHEMBL206457

CCCCCCCCc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.63
HSPE1 P61604 1/20 0.63
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
POLB P06746 8/20 0.52
GAA P10253 8/20 0.52
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MCL1 Q07820 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALOX12 P18054 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
AMY1A P0DUB6 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL208609 1.00 HSPD1 (0.63) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL207755 0.88 MEN1 (0.60) HSPD1HSPE1MEN1KMT2AGAA
SCHEMBL206629 0.88 MEN1 (0.60) HSPD1HSPE1MEN1KMT2AGAA
SCHEMBL251408 0.85 HSPD1 (0.60) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL251233 0.85 HSPD1 (0.60) HSPD1HSPE1MEN1KMT2APOLB
SCHEMBL205369 0.83 ALOX5 (0.64) MEN1KMT2AMAPTAMY1AALOX15
SCHEMBL2706493 0.83 MEN1 (0.49) MEN1KMT2APOLBGAAMAPT
SCHEMBL206863 0.83 ALOX5 (0.60) MEN1KMT2APOLBGAAMAPT
SCHEMBL207687 0.83 ALOX5 (0.60) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL206235 0.83 ALOX5 (0.60) MEN1KMT2APOLBGAAMAPT

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 HSPD1 3658/4885HSPE1 2914/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 HSPD1 3658/4885HSPE1 2914/4885MEN1 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.