Sugi Predict

Sugi Predict / Compounds / SCHEMBL4240655

SCHEMBL4240655

SCHEMBL4240655

CCCCS(=O)(=O)c1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(N)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 11/20 0.37
▸ HPGDS O60760 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TUBB4A P04350 2/20 0.33
▸ TUBB P07437 2/20 0.33
▸ TUBA3C P0DPH7 2/20 0.33
▸ TUBA1B P68363 2/20 0.33
▸ TUBA4A P68366 2/20 0.33
▸ TUBB4B P68371 2/20 0.33
▸ TUBB3 Q13509 2/20 0.33
▸ TUBB2A Q13885 2/20 0.33
▸ TUBB8 Q3ZCM7 2/20 0.33
▸ TUBA3E Q6PEY2 2/20 0.33
▸ TUBA1A Q71U36 2/20 0.33
▸ TUBA1C Q9BQE3 2/20 0.33
▸ TUBB6 Q9BUF5 2/20 0.33
▸ TUBB2B Q9BVA1 2/20 0.33
▸ TUBB1 Q9H4B7 2/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31

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
SCHEMBL4234934 0.91 PTGES (0.40) PTGESHPGDSIRAK4POLB
SCHEMBL4240653 0.89 PTGES (0.34) PTGESHPGDSIRAK4TUBB4ATUBB
SCHEMBL4243624 0.85 PTGES (0.39) PTGESHPGDSPOLB
SCHEMBL4234877 0.82 HPGDS (0.44) PTGESHPGDS
SCHEMBL1202102 0.82 POLB (0.37) PTGESHPGDSIRAK4TUBB4ATUBB
SCHEMBL4239804 0.81 PTGES (0.37) PTGESHPGDSPOLB
SCHEMBL4243747 0.80 PTGES (0.38) PTGESHPGDS
SCHEMBL4234929 0.80 PTGES (0.37) PTGESHPGDSROCK2POLB
SCHEMBL4237753 0.79 HPGDS (0.42) PTGESHPGDS
SCHEMBL4243793 0.79 PTGES (0.43) PTGESHPGDSRPS6KA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 — — US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 — — US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 — — US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 — — EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 — — US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 — — 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885IRAK4 4792/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885IRAK4 4792/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885IRAK4 4792/4885

“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.