SCHEMBL250488

SCHEMBL250488

CCCCCOc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.51
HSPE1 P61604 1/20 0.51
MEN1 O00255 7/20 0.48
POLB P06746 7/20 0.48
KMT2A Q03164 7/20 0.48
GAA P10253 6/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX12 P18054 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL207803 0.99 HSPD1 (0.50) HSPD1HSPE1MEN1POLBKMT2A
SCHEMBL206218 0.90 PRMT5 (0.50) HSPD1HSPE1MEN1KMT2AGAA
SCHEMBL207360 0.89 PRMT5 (0.49) HSPD1HSPE1MEN1KMT2AGAA
SCHEMBL206476 0.88 S1PR1 (0.46) MEN1POLBKMT2AGAAKDM4E
SCHEMBL2697856 0.88 VCP (0.54) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL206060 0.88 PTGES (0.46) MEN1KMT2APRMT5WDR77RAB9A
SCHEMBL206916 0.88 ALOX5 (0.48) MEN1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL204874 0.88 S1PR1 (0.47) MEN1POLBKMT2AGAAKDM4E
SCHEMBL207192 0.87 S1PR1 (0.47) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL2700258 0.87 ALOX5 (0.59) MEN1KMT2AKDM4EMAPTALOX15

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.