SCHEMBL3741276

SCHEMBL3741276

CC(C=C=O)[C@H](NOCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
CA9 Q16790 1/20 0.38
CTSB P07858 2/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL27388901 1.00 NPC1 (0.41) NPC1RAB9AADAMTS4MMP13CTSL
SCHEMBL7445421 0.85 NPC1 (0.39) NPC1RAB9AADAMTS4MMP13CTSL
SCHEMBL27547818 0.84 NPC1 (0.44) NPC1RAB9AADAMTS4MMP13ALDH1A1
SCHEMBL724209 0.82 ALDH1A1 (0.50) NPC1RAB9AADAMTS4MMP13CTSL
SCHEMBL27507457 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1SLC1A3SLC1A2
SCHEMBL9416878 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1SLC1A3SLC1A2
Acetonitrile SCHEMBL27489701 0.81 CTSS (0.42) NPC1RAB9AADAMTS4MMP13CTSL
SCHEMBL28581036 0.81 MME (0.49) NPC1RAB9AADAMTS4MMP13CTSL
SCHEMBL27694402 0.78 ALDH1A1 (0.47) ALDH1A1PPARGPPARAMEN1KMT2A
SCHEMBL27363772 0.78 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 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
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 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-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
US-6218568-B1 REACTING 1-ARALKYLOXY-3-HALO-2-PROPANOL WITH METHOXYMETHYL ALKANOATE IN APROTIC SOLVENT IN THE PRESENCE OF A CATALYST TO PRODUCE 1-ARALKYLOXY-3-HALO-2-(ALKANOYLOXY)METHOXYPROPANE AND TREATING THE PRODUCT WITH ALKALI METAL ALKANOATE SYNTEX (U.S.A.) INC. 2001-04-17 US disclosed
US-6215017-B1 1-ARALKYLOXY-3-ACYLOXY-2-(ACYLOXY)METHOXYPROPANE DERIVATIVE; CHEMICAL INTERMEDIATES FOR VIRICIDE GANCICLOVIR SYNTEX (U.S.A.) INC. 2001-04-10 US disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 US disclosed
US-6034238-A ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-03-07 US disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
WO-1997006178-A1 PYRIMIDINE NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-02-20 WO disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 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 (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 1697/4885ADAMTS4 2288/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 NPC1 24/4885RAB9A 1881/4885ADAMTS4 2118/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 NPC1 220/4885RAB9A 1697/4885ADAMTS4 2288/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 NPC1 645/4885RAB9A 4637/4885ADAMTS4 4866/4885

“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.