Sugi Predict

Sugi Predict / Compounds / SCHEMBL772638

SCHEMBL772638

SCHEMBL772638

CC(C)(C)NS(=O)(=O)c1ccc2c(C3C=CCCC3)c[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PARG Q86W56 2/20 0.35
▸ JAK2 O60674 4/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNK O75909 1/20 0.34

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
SCHEMBL31121973 0.81 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL773509 0.81 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL5447383 0.73 NPC1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL772426 0.70 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL31122048 0.70 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL773249 0.65 ESR1 (0.52) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL31122029 0.65 ESR1 (0.52) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL773241 0.64 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL31122047 0.64 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL22693825 0.63 SMN1; SMN2 (0.53) MEN1KMT2AKDM4EALDH1A1CYP3A4

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 — — EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 — — EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 — — EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885KDM4E 2725/4885

“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.