SCHEMBL2954985

SCHEMBL2954985

O=C(O)N1C[C@@H]1COS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSP90AA1 P07900 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL394196 0.84 ALDH1A1 (0.49) PRMT5WDR77ALDH1A1HSD11B1KMT2A
SCHEMBL4387114 0.77 PRMT5 (0.42) PRMT5WDR77ALDH1A1KDM4EKMT2A
SCHEMBL31715477 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL4617596 0.74 ALDH1A1 (0.48) ALDH1A1HSD11B1KMT2ATDP1HSP90AA1
SCHEMBL23668257 0.74 MMP2 (0.42) ALDH1A1KDM4EKMT2ATDP1HSP90AA1
SCHEMBL3131619 0.74 MMP2 (0.42) ALDH1A1KDM4EKMT2ATDP1HSP90AA1
SCHEMBL20640153 0.74 MMP2 (0.42) ALDH1A1KDM4EKMT2ATDP1HSP90AA1
SCHEMBL9645456 0.73 PRMT5 (0.72) PRMT5WDR77ALDH1A1HSP90AA1CA1
SCHEMBL1164097 0.73 PRMT5 (0.72) PRMT5WDR77ALDH1A1HSP90AA1CA1
SCHEMBL2967442 0.73 PRMT5 (0.72) PRMT5WDR77ALDH1A1HSP90AA1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-7767660-B2 Antiviral indoles ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-03 US disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
US-20080214522-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-09-04 US disclosed
WO-2008075103-A1 ANTIVIRAL INDOLES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRMT5 1585/4885WDR77 1451/4885ALDH1A1 1086/4885
US-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRMT5 1770/4885WDR77 1114/4885ALDH1A1 1358/4885
US-20080214522-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 PRMT5 1439/4885WDR77 1449/4885ALDH1A1 1120/4885

“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.