Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476001

SCHEMBL4476001

SCHEMBL4476001

C#Cc1cccc(NCCP(=O)(OCC)OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ EGFR P00533 7/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35

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
SCHEMBL18707796 0.78 MAPT (0.46) FBP1MEN1NPC1RAB9AKMT2A
SCHEMBL17151240 0.76 EGFR (0.50) FBP1MEN1NPC1RAB9AKMT2A
SCHEMBL8283686 0.73 FBP1 (0.43) FBP1MEN1NPC1RAB9AKMT2A
SCHEMBL18419335 0.71 EGFR (0.46) FBP1EGFRHDAC3HDAC4HDAC1
SCHEMBL18707795 0.71 FBP1 (0.41) FBP1EGFRGAKERBB2CYP3A4
SCHEMBL18419341 0.71 EGFR (0.46) FBP1EGFRHDAC3HDAC4HDAC1
SCHEMBL4861846 0.71 THRB (0.42) NPSR1MEN1KMT2AEGFRCYP3A4
SCHEMBL27706963 0.71 MAPT (0.39) FBP1MEN1NPC1RAB9AKMT2A
SCHEMBL15862018 0.70 MEN1 (0.41) FBP1MEN1NPC1RAB9AKMT2A
SCHEMBL6159509 0.70 POLB (0.46) FBP1MEN1NPC1RAB9AKMT2A

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-7498353-B2 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 — — US disclosed
US-7498353-B2 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 — — US disclosed
US-7498353-B2 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 — — US disclosed
EP-1883633-A2 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-02-06 — — EP disclosed
WO-2007027230-A2 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 — — WO disclosed
WO-2007027230-A2 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 — — WO disclosed
US-20060247287-A1 Heterocyclic Anti-Viral Compounds Comprising Metabolizable Moieties And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2006-11-02 — — 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 (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-20060247287-A1 Heterocyclic Anti-Viral Compounds Comprising Metabolizable Moieties And Their Uses HAVCR2, HCCS, AADAC FBP1 1180/4885NPSR1 3104/4885MEN1 4501/4885

“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.