SCHEMBL17719235

SCHEMBL17719235

CCC(CC)COC(=O)[C@H](C)NP(C)(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRB3 P13945 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL26276657 1.00 CA1 (0.44) CA1CA2BCHEACHECES2
SCHEMBL16554025 0.90 CA1 (0.45) CA1CA2BCHEACHECES2
SCHEMBL16554022 0.90 CA1 (0.45) CA1CA2BCHEACHECES2
SCHEMBL18666861 0.89 CA1 (0.46) CA1CA2BCHEACHECES2
SCHEMBL28645682 0.87 ALDH1A1 (0.47) CA1CA2BCHEACHECES2
SCHEMBL28854869 0.87 ALDH1A1 (0.47) CA1CA2BCHEACHECES2
SCHEMBL26277253 0.87 CA1 (0.43) CA1CA2BCHEACHECES2
SCHEMBL14989469 0.87 ALDH1A1 (0.47) CA1CA2BCHEACHECES2
SCHEMBL17712318 0.87 ALDH1A1 (0.47) CA1CA2BCHEACHECES2
SCHEMBL17712317 0.87 ALDH1A1 (0.47) CA1CA2BCHEACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9724360-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2017-08-08 — — US disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 — — US disclosed
US-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES, INC. 2016-05-05 — — US disclosed
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-05-05 — — 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-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES PRPS1, PRPF4, PRPF31 CA1 4736/4885CA2 4682/4885BCHE 4091/4885
US-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA CA1 4046/4885CA2 3661/4885BCHE 4187/4885
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 CA1 2531/4885CA2 3752/4885BCHE 1027/4885
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA CA1 4046/4885CA2 3661/4885BCHE 4187/4885

“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.

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