SCHEMBL20718079

SCHEMBL20718079

O=[N+]([O-])c1ccc(S(=O)(=O)CC2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
PKM P14618 2/20 0.46
KCNH2 Q12809 1/20 0.44
MAPT P10636 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
LMNA P02545 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KCNJ1 P48048 1/20 0.43

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
SCHEMBL28982320 0.84 CA1 (0.46) ALDH1A1SMN1; SMN2HTTPKMMAPT
SCHEMBL23703175 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTPKMMAPT
SCHEMBL19392557 0.80 KCNH2 (0.51) ALDH1A1SMN1; SMN2KCNH2MAPTCA2
SCHEMBL16054033 0.80 PKM (0.57) ALDH1A1SMN1; SMN2PKMMAPTCA1
SCHEMBL19392486 0.79 KCNH2 (0.47) KCNH2CA1CA2CA12CA9
SCHEMBL1938684 0.79 PLCG1 (0.50) HTTKCNH2CA2LMNAMAPK1
SCHEMBL23370164 0.79 MMP2 (0.48) KCNH2CA1CA2LMNACA12
SCHEMBL16179163 0.79 KCNH2 (0.50) ALDH1A1KCNH2MEN1KMT2ACNR2
SCHEMBL2627276 0.78 LMNA (0.53) ALDH1A1SMN1; SMN2HTTKCNH2MAPT
SCHEMBL2632975 0.78 DDIT3 (0.53) ALDH1A1SMN1; SMN2HTTPKMMAPT

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-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 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 (2 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-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD ALDH1A1 444/4885SMN1; SMN2 1730/4885HTT 3088/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD ALDH1A1 820/4885SMN1; SMN2 1922/4885HTT 3319/4885

“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.