SCHEMBL2237430

SCHEMBL2237430

COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.66
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
CYP19A1 P11511 2/20 0.55
IDH1 O75874 1/20 0.54
HPGD P15428 1/20 0.53
PLAU P00749 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL2243891 0.90 ALPL (0.66) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL15661006 0.87 ALDH1A1 (0.61) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7571531 0.87 SMN1; SMN2 (0.67) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL7527610 0.85 SMN1; SMN2 (0.65) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL23832758 0.84 ALDH1A1 (0.53) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL30218167 0.84 ALDH1A1 (0.53) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL18546034 0.83 CYP19A1 (0.73) ALPLALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13265822 0.81 LMNA (0.58) ALPLALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2240841 0.81 ALPL (0.69) ALPLALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL16305322 0.81 ALPL (0.60) ALPLALDH1A1LMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 US disclosed
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 US disclosed
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 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-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS PSMB7, PSMD7, PSMB6 ALPL 4841/4885ALDH1A1 4279/4885LMNA 2096/4885

“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.