Sugi Predict

Sugi Predict / Compounds / SCHEMBL2697941

SCHEMBL2697941

SCHEMBL2697941

CCCCCCCCN(C)c1ccc(Nc2nc(Cc3cccc(F)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CYP1A1 P04798 5/20 0.33
▸ CYP1A2 P05177 5/20 0.33
▸ CYP1B1 Q16678 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ AGER Q15109 2/20 0.32
▸ HPGD P15428 1/20 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
SCHEMBL2697500 0.91 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP1A2MAPT
SCHEMBL2695836 0.90 ADRB2 (0.34) ADRB2ADRB1ADRB3CYP1A2MAPT
SCHEMBL2705327 0.88 CACNA1G (0.41) ADRB2ADRB1ADRB3MAPTGAA
SCHEMBL2697517 0.87 BRAF (0.36) ADRB2ADRB1ADRB3MAPTGAA
SCHEMBL2705514 0.86 MAPT (0.38) ADRB2ADRB1ADRB3MAPTGAA
SCHEMBL2705402 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3TLR8TLR7
SCHEMBL2698468 0.85 MAPT (0.39) ADRB2ADRB1ADRB3MAPTGAA
SCHEMBL2697782 0.84 KDR (0.38) CYP1A2MAPTGAAMEN1KMT2A
SCHEMBL205312 0.83 S1PR1 (0.41) ADRB2ADRB1ADRB3TLR8TLR7
SCHEMBL2696743 0.80 VCP (0.39) ADRB2ADRB1ADRB3MAPTGAA

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 8 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-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 ADRB2 1337/4885ADRB1 185/4885ADRB3 610/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ADRB2 1337/4885ADRB1 185/4885ADRB3 610/4885

“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.