SCHEMBL206444

SCHEMBL206444

Fc1ccc(-c2csc(Nc3ccc(OCCCc4cccnc4)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
RAB9A P51151 8/20 0.52
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 8/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NPY5R Q15761 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
CLK1 P49759 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 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
SCHEMBL207221 0.92 MEN1 (0.52) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL207693 0.89 MEN1 (0.58) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL206242 0.88 RAB9A (0.52) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL207865 0.88 MEN1 (0.48) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL208317 0.86 RAB9A (0.51) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL3125946 0.85 RAB9A (0.50) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL4216468 0.84 MEN1 (0.50) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL206625 0.83 MEN1 (0.52) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL10245330 0.83 MEN1 (0.53) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL206916 0.82 ALOX5 (0.48) MEN1KMT2ARAB9AMAPTSMN1; SMN2

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 MEN1 3862/4885KMT2A 3476/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885RAB9A 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.