SCHEMBL21802111

SCHEMBL21802111

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 14/20 0.51
POLB P06746 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 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
SCHEMBL21802040 0.90 ALPL (0.44) ALPLPOLBPTPN2PTPN1PTPN6
SCHEMBL21801977 0.88 ALPL (0.51) ALPLHTTOPRK1
SCHEMBL21802084 0.84 ALPL (0.54) ALPL
SCHEMBL30538734 0.83 ALPL (0.55) ALPLOPRK1
SCHEMBL21801956 0.83 ALPL (0.49) ALPLHTT
SCHEMBL21801957 0.83 ALPL (0.49) ALPLHTT
SCHEMBL21802113 0.83 ALPL (0.49) ALPLHTT
SCHEMBL21802103 0.81 ALPL (0.48) ALPLHTT
SCHEMBL21802085 0.81 ALPL (0.45) ALPLOPRK1
SCHEMBL30538749 0.75 ALPL (0.44) ALPL

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 7/4885POLB 4183/4885PTPN2 80/4885
US-11014939-B2 ALPI, ALPP, ACER2 ALPL 5/4885POLB 4089/4885PTPN2 248/4885
US-11046710-B2 Sulfonamide compounds ALPI, ASAH2, STS ALPL 7/4885POLB 4183/4885PTPN2 80/4885

“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.