SCHEMBL2339623

SCHEMBL2339623

O=C(O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
CA12 O43570 3/20 0.47
CA4 P22748 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL21963799 0.80 L3MBTL1 (0.54) L3MBTL1CA2KMT2AALDH1A1POLB
SCHEMBL2344524 0.80 KMT2A (0.61) L3MBTL1CA2CA1CA12CA9
SCHEMBL25340071 0.80 MEN1 (0.62) PKML3MBTL1CA2CA1MMP1
SCHEMBL9724058 0.80 L3MBTL1 (0.72) HSD11B1L3MBTL1KMT2APOLB
SCHEMBL19126866 0.79 CA2 (0.59) HSD11B1PKMCA2CA1MMP1
SCHEMBL4351497 0.79 KMT2A (0.61) HSD11B1L3MBTL1KMT2AALDH1A1POLB
SCHEMBL7861808 0.79 HTT (0.57) HSD11B1PKMCA2CA1MMP1
SCHEMBL21963823 0.79 L3MBTL1 (0.53) HSD11B1L3MBTL1CA2CA1MMP1
SCHEMBL10592548 0.79 KMT2A (0.63) HSD11B1L3MBTL1MMP1KMT2AALDH1A1
SCHEMBL23727992 0.79 HSD11B1 (0.56) HSD11B1PKMCA2CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
US-20220056021-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2022-02-24 US disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed
US-8748388-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-06-10 US disclosed
EP-2231695-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-02-13 EP disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 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 (5 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 HSD11B1 897/4885PKM 2089/4885L3MBTL1 886/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B HSD11B1 277/4885PKM 758/4885L3MBTL1 2638/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B HSD11B1 277/4885PKM 758/4885L3MBTL1 2638/4885
US-20220056021-A1 ANTICANCER COMPOUNDS TP53, MCL1, MYC HSD11B1 2056/4885PKM 1336/4885L3MBTL1 1432/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC HSD11B1 2057/4885PKM 1336/4885L3MBTL1 1434/4885

“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.