Sugi Predict

Sugi Predict / Compounds / SCHEMBL3729907

SCHEMBL3729907

SCHEMBL3729907

COC(=O)c1ccc(OCc2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.75
▸ RAB9A P51151 4/20 0.75
▸ MAPT P10636 4/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ MEN1 O00255 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ POLB P06746 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.72
▸ HTT P42858 1/20 0.72
▸ CA1 P00915 1/20 0.70
▸ CA2 P00918 1/20 0.70
▸ FFAR1 O14842 2/20 0.69
▸ PLA2G4B P0C869 1/20 0.64
▸ APP P05067 3/20 0.62
▸ LMNA P02545 1/20 0.61
▸ RXRA P19793 1/20 0.59
▸ RXRB P28702 1/20 0.59
▸ PARP10 Q53GL7 1/20 0.57

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
SCHEMBL11350421 0.95 RAB9A (0.82) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10236929 0.95 RAB9A (0.82) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12086470 0.90 RAB9A (0.80) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL898771 0.89 RXRA (0.77) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL11363883 0.89 RAB9A (0.73) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6959174 0.89 NPC1 (0.73) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL25503616 0.89 SMN1; SMN2 (0.71) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL25503618 0.89 SMN1; SMN2 (0.71) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL18569721 0.87 LOXL2 (0.75) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL254368 0.87 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 — — US disclosed
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2011-12-29 — — US disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 — — US disclosed
WO-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 — — WO disclosed
US-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 — — US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 — — US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 — — US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 — — US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 — — US disclosed
EP-1054867-B1 ANTIVIRALS MEDIVIR AB (SE) 2004-04-14 — — EP disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 — — US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 — — EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 — — WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — WO disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 — — WO disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 — — 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 (4 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 NPC1 220/4885RAB9A 1697/4885MAPT 4482/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 NPC1 220/4885RAB9A 1697/4885MAPT 4482/4885
US-20110319416-A1 Subunit Selective NMDA Receptor Antagonists For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B NPC1 875/4885RAB9A 742/4885MAPT 598/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 NPC1 645/4885RAB9A 4637/4885MAPT 3949/4885

“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.