SCHEMBL942390

SCHEMBL942390

COc1ccc(Cl)[n+]([O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PKM P14618 2/20 0.40
AHR P35869 1/20 0.37
BCL2 P10415 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17213587 0.76 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL731371 0.76 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL19616415 0.74 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL3227289 0.73 CXCR2 (0.68) ALDH1A1LMNATP53CYP3A4KDM4E
SCHEMBL15052735 0.73 PTGS2 (0.55) ALDH1A1MAPK1LMNATSHR
SCHEMBL31535988 0.71 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL1581461 0.71 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL30829028 0.70
SCHEMBL2977395 0.70
SCHEMBL30797418 0.69 ACHE (0.39) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CA1 93/4885CA2 51/4885CA7 61/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CA1 93/4885CA2 51/4885CA7 61/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CA1 93/4885CA2 51/4885CA7 61/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 CA1 288/4885CA2 201/4885CA7 219/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CA1 134/4885CA2 146/4885CA7 708/4885

“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.