SCHEMBL2755841

SCHEMBL2755841

CCOC(=O)CC1=CCC(c2csc(Nc3ccc(OCCCc4ccco4)c(C(F)(F)F)c3)n2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SYK P43405 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
KDM4E B2RXH2 1/20 0.34
DHODH Q02127 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 2/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL207889 0.83 MAPT (0.37) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL206316 0.75 NTRK1 (0.39) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2695588 0.73 NTRK1 (0.36) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL208912 0.73 ALDH1A1 (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL207932 0.71 DHODH (0.40) MAPTSMN1; SMN2SYKLMNAKMT2A
SCHEMBL205834 0.71 MEN1 (0.39) MAPTSMN1; SMN2NPC1LMNAMAPK1
SCHEMBL207791 0.70 HDAC8 (0.44) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL207828 0.69 ALDH1A1 (0.45) MAPTSMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL2705660 0.67 DHODH (0.39) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL205567 0.67 CFTR (0.57) MAPTKDM4EDHODHALDH1A1S1PR1

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 3 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-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

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 MAPT 2207/4885SMN1; SMN2 3252/4885HTT 809/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885SMN1; SMN2 3252/4885HTT 809/4885

“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.