Sugi Predict

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SCHEMBL205486

SCHEMBL205486

CCCCCOc1ccc(Nc2nc(-c3csc(-c4cccnc4)n3)cs2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.49
▸ KMT2A Q03164 10/20 0.49
▸ RAB9A P51151 8/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ CYP1A1 P04798 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP1B1 Q16678 2/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47
▸ ATP4A P20648 2/20 0.46
▸ ATP4B P51164 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KIT P10721 3/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TP53 P04637 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
SCHEMBL204452 0.93 MEN1 (0.57) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL206853 0.92 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL206765 0.92 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL207156 0.91 MEN1 (0.61) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL206345 0.88 ATP4A (0.42) MEN1KMT2ARAB9ANPC1ATP4A
SCHEMBL3128249 0.86 MEN1 (0.57) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL206871 0.86 S1PR1 (0.45) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL208574 0.86 S1PR1 (0.45) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL3124981 0.85 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CYP1A1
SCHEMBL206330 0.85 MEN1 (0.52) MEN1KMT2ARAB9ANPC1CYP1A1

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 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.