SCHEMBL21801977

SCHEMBL21801977

CO[C@H]1C[C@@H]2COc3ncc([N+](=O)[O-])cc3C(=O)N2C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALPL P05186 17/20 0.51
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21802111 0.88 ALPL (0.51) ALPLOPRK1HTT
SCHEMBL21802040 0.85 ALPL (0.44) ALPLOPRK1
SCHEMBL30538734 0.85 ALPL (0.55) ALPLOPRK1
SCHEMBL21802103 0.85 ALPL (0.48) ALPLALDH1A1MAPK1HTT
SCHEMBL21801957 0.85 ALPL (0.49) ALPLALDH1A1MAPK1HTT
SCHEMBL21802113 0.85 ALPL (0.49) ALPLALDH1A1MAPK1HTT
SCHEMBL21801956 0.85 ALPL (0.49) ALPLALDH1A1MAPK1HTT
SCHEMBL30538722 0.82 ALPL (0.54) ALPL
SCHEMBL21802085 0.81 ALPL (0.45) ALPLOPRK1
SCHEMBL21802004 0.78 ALPL (0.47) ALPLOPRK1ALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3559007-B1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2023-08-16 EP disclosed
US-11046710-B2 Sulfonamide compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-29 US disclosed
US-11014939-B2 2021-05-25 US disclosed
US-20200087321-A1 SULFONAMIDE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-03-19 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 (3 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-20200087321-A1 SULFONAMIDE COMPOUNDS ALPI, ASAH2, STS ALPL 7/4885OPRK1 3576/4885ALDH1A1 310/4885
US-11014939-B2 ALPI, ALPP, ACER2 ALPL 5/4885OPRK1 1789/4885ALDH1A1 177/4885
US-11046710-B2 Sulfonamide compounds ALPI, ASAH2, STS ALPL 7/4885OPRK1 3576/4885ALDH1A1 310/4885

“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.