SCHEMBL6034041

SCHEMBL6034041

Cc1ccc(S(=O)(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ACHE P22303 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 4/20 0.49
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
BCHE P06276 1/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL17162103 0.96 ALDH1A1 (0.58) KMT2ACA12CA1CA9LMNA
SCHEMBL8069545 0.88 CA12 (0.63) CA12CA1CA9LMNACA2
SCHEMBL31346187 0.88 ALDH1A1 (0.50) KMT2ACA12CA1CA9LMNA
SCHEMBL5285385 0.87 ACHE (0.67) KMT2ALMNAALDH1A1ACHEHSD17B10
SCHEMBL30865768 0.83 CA1 (0.53) CA12CA1CA9LMNAALDH1A1
SCHEMBL28839835 0.83 MAPT (0.46) KMT2ACA12CA1CA9LMNA
SCHEMBL10346036 0.82 CA12 (0.57) KMT2ACA12CA1CA9LMNA
SCHEMBL5638579 0.82 CA12 (0.57) CA12CA1CA9LMNAALDH1A1
SCHEMBL4033629 0.82 ACHE (0.55) KMT2ACA12CA1ALDH1A1ACHE
SCHEMBL13639225 0.81 CA12 (0.56) CA12CA1CA9LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561999-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY Abbvie Operations Singapore Pte. Ltd. (SG) 2025-06-04 EP disclosed
US-20240101540-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY ABBVIE BIOTECHNOLOGY LTD (BM) 2024-03-28 US disclosed
WO-2024026081-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY RIBON THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0270906-B1 DIISOCYANATES AND DIISOCYANATE MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF POLYURETHANE PLASTICS BAYER AG (DE) 1990-02-21 EP disclosed
US-4888125-A Diisocyanates, a process for their production and their use in the production of polyurethane plastics BAYER AKTIENGESELLSCHAFT (DE) 1989-12-19 US disclosed
EP-0270906-A1 Diisocyanates and diisocyanate mixtures, process for their preparation and their use in the preparation of polyurethane plastics BAYER AG (DE) 1988-06-15 EP disclosed
US-4606991-A Color photographic light-sensitive material with 2-acylamino phenol dye releaser FUJI PHOTO FILM CO., LTD. (JP) 1986-08-19 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 (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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KMT2A 2638/4885CA12 4579/4885CA1 4417/4885
US-20240101540-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY PARP14, PARP15, PARP16 KMT2A 1571/4885CA12 4754/4885CA1 4836/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR KMT2A 2620/4885CA12 4620/4885CA1 4453/4885

“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.