SCHEMBL2243891

SCHEMBL2243891

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.66
▸ IDH1 O75874 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL25754679 0.90 SMN1; SMN2 (0.64) ALPLIDH1SMN1; SMN2HTTLMNA
SCHEMBL2237430 0.90 ALPL (0.66) ALPLIDH1SMN1; SMN2HTTLMNA
SCHEMBL2240841 0.86 ALPL (0.69) ALPLIDH1SMN1; SMN2HTTLMNA
SCHEMBL16305322 0.81 ALPL (0.60) ALPLSMN1; SMN2HTTLMNAKMT2A
SCHEMBL2241186 0.80 ALPL (0.60) ALPLIDH1SMN1; SMN2HTTLMNA
SCHEMBL7571531 0.80 SMN1; SMN2 (0.67) IDH1SMN1; SMN2HTTLMNAMEN1
SCHEMBL25754750 0.79 MEN1 (0.51) IDH1SMN1; SMN2HTTLMNAMEN1
SCHEMBL2241241 0.79 SMN1; SMN2 (0.59) ALPLSMN1; SMN2HTTLMNAMEN1
SCHEMBL5151785 0.79 ALPL (0.58) ALPLSMN1; SMN2HTTLMNAMEN1
SCHEMBL23833756 0.79 POLB (0.56) ALPLSMN1; SMN2HTTLMNAMEN1

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 7 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
WO-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 — — WO 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 4841/4885IDH1 697/4885SMN1; SMN2 2696/4885

“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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