SCHEMBL2241186

SCHEMBL2241186

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MCL1 Q07820 1/20 0.53
▸ SLC5A1 P13866 1/20 0.53
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ GUSB P08236 1/20 0.51
▸ NFKBIA P25963 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ NHERF1 O14745 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
SCHEMBL25754724 0.90 L3MBTL1 (0.61) L3MBTL1HPGDMEN1KMT2AMAPK1
SCHEMBL4192438 0.87 ALPL (0.59) ALPLL3MBTL1HPGDMEN1KMT2A
SCHEMBL3470566 0.86 SMN1; SMN2 (0.67) L3MBTL1HPGDMEN1KMT2AMAPK1
SCHEMBL4192436 0.83 ALPL (0.55) ALPLL3MBTL1HPGDMEN1KMT2A
SCHEMBL15658709 0.81 GUSB (0.67) ALPLL3MBTL1HPGDMEN1KMT2A
SCHEMBL23832700 0.80 TSHR (0.58) L3MBTL1HPGDMEN1KMT2AMAPK1
SCHEMBL2243891 0.80 ALPL (0.66) ALPLL3MBTL1HPGDMEN1KMT2A
SCHEMBL30218132 0.80 TSHR (0.58) L3MBTL1HPGDMEN1KMT2AMAPK1
SCHEMBL2242228 0.80 MEN1 (0.54) MEN1KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL2240841 0.80 ALPL (0.69) ALPLL3MBTL1HPGDMEN1KMT2A

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 4841/4885L3MBTL1 583/4885HPGD 3767/4885

“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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