Sugi Predict

Sugi Predict / Compounds / SCHEMBL205880

SCHEMBL205880

SCHEMBL205880

COc1ncc(-c2csc(Nc3ccc(CCCCCc4ccccc4)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ ALOX5 P09917 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP1A1 P04798 3/20 0.39
▸ CYP1B1 Q16678 3/20 0.39
▸ PTGS2 P35354 4/20 0.38

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
SCHEMBL3119845 0.92 PTGS2 (0.43) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL2755709 0.91 S1PR1 (0.41) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL207601 0.91 S1PR1 (0.41) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL208826 0.89 MCHR1 (0.43) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL206274 0.88 MCHR1 (0.44) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL207920 0.83 RAB9A (0.53) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL205530 0.82 PTGS2 (0.43) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL207865 0.80 MEN1 (0.48) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL3131593 0.80 PTGES (0.55) MAPTMEN1KMT2ARAB9AALOX5
SCHEMBL205759 0.78 ALOX5 (0.44) MAPTMEN1KMT2ARAB9AALOX5

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 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-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 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885

“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.