SCHEMBL21990036

SCHEMBL21990036

CCOC(=O)C(C)(C)c1ncc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ USP10 Q14694 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ VCAM1 P19320 1/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL26110877 0.82 THRB (0.40) MAPTMAPK1POLBL3MBTL1KMT2A
SCHEMBL30276192 0.82 THRB (0.40) MAPTMAPK1POLBL3MBTL1KMT2A
SCHEMBL21840117 0.77 THRB (0.43) MAPTMAPK1POLBUSP10KMT2A
SCHEMBL20594660 0.76 MAPT (0.48) MAPTMAPK1POLBUSP10L3MBTL1
SCHEMBL20594744 0.76 ALDH1A1 (0.50) MAPTMAPK1POLBUSP10L3MBTL1
SCHEMBL31440674 0.76 MAPT (0.57) MAPTMAPK1POLBL3MBTL1VCAM1
SCHEMBL72992 0.76 MAPT (0.57) MAPTMAPK1POLBL3MBTL1VCAM1
SCHEMBL2007502 0.75 LMNA (0.49) MAPTMAPK1POLBUSP10L3MBTL1
SCHEMBL29389125 0.74 RAB9A (0.50) MAPTMAPK1POLBL3MBTL1KMT2A
SCHEMBL1269240 0.74 RAB9A (0.50) MAPTMAPK1POLBL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 — — US disclosed
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 — — 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 (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-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS MAPT 4724/4885MAPK1 2105/4885POLB 652/4885

“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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