SCHEMBL206273

SCHEMBL206273

CCCCCCCCN(C)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.50
HSPE1 P61604 1/20 0.50
MEN1 O00255 8/20 0.44
POLB P06746 8/20 0.44
KMT2A Q03164 8/20 0.44
GAA P10253 6/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CFTR P13569 1/20 0.44
MCL1 Q07820 1/20 0.44
CTRB1 P17538 1/20 0.43
CTRC Q99895 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL208017 0.91 MAPT (0.48) HSPD1HSPE1MEN1KMT2AGAA
SCHEMBL2698387 0.89 ALOX5 (0.47) MEN1POLBKMT2AKDM4EMAPT
SCHEMBL2695728 0.88 ALOX5 (0.53) MEN1KMT2AKDM4EMAPTVCP
SCHEMBL206861 0.86 ALOX5 (0.39) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL2696743 0.86 VCP (0.39) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL2695446 0.85 RAB9A (0.41) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL206050 0.85 ALOX5 (0.38) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL2699866 0.84 MEN1 (0.53) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL207803 0.84 HSPD1 (0.50) HSPD1HSPE1MEN1POLBKMT2A
SCHEMBL208181 0.83 ALOX5 (0.38) MEN1KMT2AGAAMAPTALDH1A1

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 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.