Sugi Predict

Sugi Predict / Compounds / SCHEMBL4467507

SCHEMBL4467507

SCHEMBL4467507

CC1(C)CC(=O)c2c(ccc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 6/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ LMNA P02545 2/20 0.30
▸ HTT P42858 2/20 0.30
▸ MAOB P27338 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL13672318 0.75 NPC1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4458222 0.74 RAB9A (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18581158 0.71 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6086547 0.71 KDM4E (0.59) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL4508350 0.69 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4501140 0.69 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14413905 0.68 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6593106 0.67 ALDH1A1 (0.40) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL5201324 0.66 ALDH1A1 (0.51) RAB9AALDH1A1MAPTTP53HPGD
SCHEMBL14088026 0.65 ALPL (0.37) ALDH1A1MAPTKDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 — — US disclosed
US-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 — — US disclosed
US-7598403-B2 Synthesis of chromanones THE UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION (US) 2009-10-06 — — US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 — — US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 — — US disclosed
US-20070203214-A1 Synthesis Of Chromanones UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 — — US disclosed
WO-2004103985-A2 DERIVATIVES OF FUSAROCHROMANONE AS THERAPEUTIC AGENTS UNIVERSITY OF SOUTH CAROLINA (US) 2004-12-02 — — WO 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 (1 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-20070203214-A1 Synthesis Of Chromanones MAP3K6, MAP3K8, MAP3K1 NPC1 2619/4885RAB9A 3243/4885MEN1 2631/4885

“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.