Sugi Predict

Sugi Predict / Compounds / SCHEMBL435152

SCHEMBL435152

SCHEMBL435152

O=[N+]([O-])C(OCOCOC(c1ccccc1)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.42
▸ NPC1 O15118 2/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ACP3 P15309 1/20 0.31
▸ CPA1 P15085 3/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL7691385 0.85 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL7117064 0.79 GSR (0.40) GSRNPC1ADAM17ALDH1A1KMT2A
SCHEMBL376375 0.78 GSR (0.44) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL27329088 0.77 GSR (0.39) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL2028620 0.76 GSR (0.43) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL8617627 0.75 GSR (0.47) GSRALDH1A1LMNAKMT2AMEN1
SCHEMBL10936620 0.75 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL10403262 0.75 GSR (0.55) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL1831576 0.75 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL8582412 0.75 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 — — EP disclosed
EP-4168039-A1 MARKERS FOR USE IN METHODS FOR TREATING CANCERS WITH ANTIBODY DRUG CONJUGATES (ADC) Agensys, Inc. (US) 2023-04-26 — — EP disclosed
EP-4013795-A1 TREATMENT OF CANCERS WITH ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS Agensys, Inc. (US) 2022-06-22 — — EP disclosed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 — — WO disclosed
WO-2021257938-A1 MARKERS FOR USE IN METHODS FOR TREATING CANCERS WITH ANTIBODY DRUG CONJUGATES (ADC) AGENSYS, INC, (US) 2021-12-23 — — WO disclosed
EP-3897668-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2021-10-27 — — EP disclosed
EP-3890778-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF Agensys, Inc. (US) 2021-10-13 — — EP disclosed
WO-2021108353-A1 TREATMENT OF CANCERS WITH ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2021-06-03 — — WO disclosed
WO-2021030240-A1 TREATMENT OF CANCERS WITH ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2021-02-18 — — WO disclosed
WO-2020117373-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF AGENSYS, INC. (US) 2020-06-11 — — WO disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 — — US disclosed
WO-2010111018-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 24P4C12 PROTEINS AGENSYS, INC. (US) 2010-09-30 — — WO disclosed
EP-2211885-A1 COMBINATION THERAPY WITH ANTIBODY-DRUG CONJUGATES Seattle Genetics, Inc. (US) 2010-08-04 — — EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 — — WO disclosed
EP-2155806-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-02-24 — — EP disclosed
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 — — WO disclosed
EP-2054427-A2 AVERMECTIN DERIVATIVES Bayer CropScience AG (DE) 2009-05-06 — — EP disclosed
WO-2009048967-A1 COMBINATION THERAPY WITH ANTIBODY-DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2009-04-16 — — WO disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 — — WO disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 — — 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 (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-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 GSR 1697/4885NPC1 4805/4885ADAM17 1372/4885

“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.