SCHEMBL807668

SCHEMBL807668

Cc1ccc(OCCNC(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
MAPK1 P28482 2/20 0.61
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 2/20 0.58
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
USP2 O75604 1/20 0.51

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
SCHEMBL31483087 0.86 MTNR1A (0.73) NPC1MAPK1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21595955 0.86 NPC1 (0.73) NPC1MAPK1HSD17B10ALDH1A1TP53
SCHEMBL171846 0.84 MTNR1A (0.75) NPC1MAPK1HSD17B10ALDH1A1TP53
SCHEMBL21099911 0.84 MTNR1A (0.51) NPC1MAPK1HSD17B10ALDH1A1TP53
SCHEMBL31483051 0.83 SMN1; SMN2 (0.53) NPC1MAPK1HSD17B10ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30832634 0.83 MTNR1A (0.73) NPC1MAPK1HSD17B10ALDH1A1TP53
SCHEMBL1053081 0.82 MTNR1A (0.69) NPC1HPGDSMN1; SMN2POLBDRD2
SCHEMBL13531977 0.82 RAB9A (0.55) NPC1MAPK1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10389706 0.81 NPC1 (0.67) NPC1MAPK1HSD17B10ALDH1A1TP53
SCHEMBL17277318 0.81 POLB (0.68) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
WO-2022098371-A1 PRODRUGS OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGUES FOR ANTIVIRAL TREATMENT YAN MATTHEW (US) 2022-05-12 WO disclosed
WO-2021154687-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS GILEAD SCIENCES, INC. (US) 2021-08-05 WO disclosed
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 EP disclosed
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 US disclosed
EP-3539546-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-09-18 EP disclosed
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-02-21 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20070078081-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-04-05 US disclosed
US-20070072809-A1 Antiviral compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006110157-A9 NUCLEOSIDE PHOSPHONATE CONJUGATES AS ANTI HIV AGENTS GILEAD SCIENCES INC (US) 2007-03-08 WO disclosed
US-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV GILEAD SCIENCES, INC. 2007-03-01 US disclosed
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 US disclosed
WO-2007014352-A2 ANTIVIRAL PHOSPHONATE CONJUGATES FOR INHIBITION OF HIV GILEAD SCIENCES, INC. (US) 2007-02-01 WO disclosed
US-20070027116-A1 Therapeutic phosphonate derivatives GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 (11 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-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV INPP5D, INPPL1, MTAP NPC1 2996/4885MAPK1 4075/4885HSD17B10 4027/4885
US-20070072809-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NPC1 270/4885MAPK1 3687/4885HSD17B10 2778/4885
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections PNP, RPIA, HPRT1 NPC1 1885/4885MAPK1 2238/4885HSD17B10 3590/4885
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 NPC1 1885/4885MAPK1 2238/4885HSD17B10 3590/4885
US-20070027116-A1 Therapeutic phosphonate derivatives PPP5C, PPP3CA, PPP4R3A NPC1 4320/4885MAPK1 1048/4885HSD17B10 3814/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 NPC1 1885/4885MAPK1 2238/4885HSD17B10 3590/4885
US-20070078081-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NPC1 229/4885MAPK1 3630/4885HSD17B10 2717/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 NPC1 2153/4885MAPK1 2975/4885HSD17B10 4069/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA NPC1 678/4885MAPK1 1627/4885HSD17B10 3380/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NPC1 626/4885MAPK1 2930/4885HSD17B10 1703/4885
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds PNP, TYMP, MTAP NPC1 1132/4885MAPK1 1979/4885HSD17B10 2868/4885

“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.